Vitas-M small molecule compound

benzyl {[3-cyano-4-(4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

Catalog ID
STK725821
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccc(cc1)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 C21H18N2O4S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4S/c22-11-18-17(15-6-8-16(24)9-7-15)10-19(25)23-21(18)28-13-20(26)27-12-14-4-2-1-3-5-14/h1-9,17,24H,10,12-13H2,(H,23,25)
InChIKey
DDYCSVGOZFLGFB-UHFFFAOYSA-N
Synonyms

benzyl((3cyano4(4hydroxyphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
benzyl2((3cyano4(4hydroxyphenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
BENZYL2((5CYANO4(4HYDROXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD01572528
ZINC000001244222
ZINC000001244223

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Available files

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