We offer special molecular sets, created using complex computational optimization, which allows to maximize diversity and exclude potentionally problematic molecules. They are specifically developed to provide efficient start to research project or to expand a current one.

Diversity Libraries:

*Diversity_Vitas-10000– Focused Chemical Diversity for Targeted Screening*

The Diversity_Vitas-10000 library is a collection of 10,000 compounds, specifically designed for smaller-scale screening assays where efficiency and manageability are key priorities. This library emphasizes maximizing structural diversity while maintaining a compact and user-friendly database size, making it an excellent choice for early-stage discovery projects or focused screening campaigns.

To ensure broad chemical representation, compounds were selected based on advanced clustering algorithms that group molecules by structural similarity. From these clusters, the most distinct representatives were chosen, prioritizing those with the highest structural dissimilarity to one another.

This approach guarantees that the library covers a wide range of chemical space without unnecessary redundancy, enabling researchers to efficiently explore diverse molecular interactions without the burden of an excessively large compound set.

You can download brochure for this compounds library here: Diversity_Vitas-10000.pdf

*Diversity_Vitas-37000 – Expanded Coverage for Broader Screening*

The Diversity_Vitas-37000 library is a significantly expanded collection of 7,000 compounds, offering researchers an even greater variety of pharmacophores and structural motifs. This library is ideal for medium- to high-throughput screening efforts where a more comprehensive exploration of chemical space is desired.

The Diversity_Vitas-37000 collection includes a richer assortment of cores and functional group combinations, ensuring that researchers can probe a wider range of potential molecular interactions. Whether the goal is to identify novel hits, explore new target classes, or expand an existing screening library, this collection provides the chemical breadth needed to maximize discovery opportunities.

You can download brochure for this compounds library here: Diversity_Vitas-37000.pdf

*Diversity_Vitas-55000 – Maximizing Chemical Exploration with Extended and Wildcard Compounds*

The Diversity_Vitas-55000 library, containing 55,000 compounds, serves as either a standalone screening resource or as a supplementary to smaller libraries. Its primary purpose is to further extend structural and pharmacophore diversity, ensuring that no potential interaction space is left unexplored. This library incorporates additional specialized compounds, including "wildcard" molecules that were excluded from smaller libraries due to their unique or unconventional structures.

These compounds represent under-explored chemical space, offering researchers the chance to discover novel mechanisms of action or unexpected bioactivity. By integrating these molecules, the Diversity_Vitas-55000 library provides an unparalleled level of chemical variety, making it particularly valuable for phenotypic screening, fragment-based discovery, and target-agnostic drug exploration. Whether used independently or in combination with other libraries, the Diversity_Vitas-55000 library ensures that no promising compound is overlooked in the pursuit of new therapeutic leads.

You can download brochure for this compounds library here: Diversity_Vitas-55000.pdf

Targeted Libraries:

In order to assist researchers with expanding their projects or jump-starting a new one, we offer special targeted molecular libraries, which are calculated using complex in-house algorithms. These libraries are designed based on similarities with existing compounds that have known activity towards specific targets.

Our targeted libraries are designed in a way that maximizes structural diversity and excludes problematic compounds. All compounds in targeted libraries have >0.85 similarity to each reference compound with no more than 30 analogues per reference. All compounds follow Rule-of-Five. We offer special libraries for various subsets of targets:

And we also offer a specialized CNS-focused library of small molecular compounds, It includes 4247 compounds, optimized based on high predicted BBB permeability and bioavailability.

You can download special databases as well as our other products here. Libraries are available as 96 and 384-wells plate sets, as dry powder or frozen DMSO solutions, or on a dry film. We can provide collections in other formats, including your own, if requested. Partial purchase option is available.

We will also be happy to replenish molecules, should you require them later as well as supply you compounds with related structural properties.

If you have any specific needs for your project, we can provide adjusted compound library based on your request. Feel free to download the brochure. For any further questions and additional information, please contact our sales office: irina@vitasmlab.biz