Vitas-M small molecule compound

benzyl {[3-cyano-6-hydroxy-4-(4-methoxyphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate

Catalog ID
STK645751
SMILES COc1ccc(cc1)C1CC(=NC(=C1C#N)SCC(=O)OCc1ccccc1)O

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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 C22H20N2O4S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S/c1-27-17-9-7-16(8-10-17)18-11-20(25)24-22(19(18)12-23)29-14-21(26)28-13-15-5-3-2-4-6-15/h2-10,18H,11,13-14H2,1H3,(H,24,25)
InChIKey
QYLFTFCENDEXNQ-UHFFFAOYSA-N
Synonyms
332162-41-1
332162411
benzyl((3cyano6hydroxy4(4methoxyphenyl)45dihydropyridin2yl)sulfanyl)acetate
BENZYL2((5CYANO4(4METHOXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD18164020
ZINC000001102357
ZINC000001102358

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Available files

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