Vitas-M small molecule compound

octyl [(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]acetate

Catalog ID
STK681423
SMILES CCCCCCCCOC(=O)CSc1nc(cc(c1C#N)c1ccccc1)c1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C28H30N2O2S MW 458.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O2S/c1-2-3-4-5-6-13-18-32-27(31)21-33-28-25(20-29)24(22-14-9-7-10-15-22)19-26(30-28)23-16-11-8-12-17-23/h7-12,14-17,19H,2-6,13,18,21H2,1H3
InChIKey
HWWPQWVCSQAXCL-UHFFFAOYSA-N
Synonyms
CCCCCCCCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N
octyl((3cyano46diphenylpyridin2yl)sulfanyl)acetate
OCTYL2(3CYANO46DIPHENYLPYRIDIN2YL)SULFANYLACETATE
Registry IDs
MFCD03765379
ZINC000100141740
ZINC100141740

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.