Vitas-M small molecule compound
benzyl {[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK860654
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccc(cc1)F
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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 C21H17FN2O3S MW 396.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN2O3S/c22-16-8-6-15(7-9-16)17-10-19(25)24-21(18(17)11-23)28-13-20(26)27-12-14-4-2-1-3-5-14/h1-9,17H,10,12-13H2,(H,24,25)InChIKey
GTHKWNGXZFGQSP-UHFFFAOYSA-NSynonyms
330558-05-9330558059
benzyl((3cyano4(4fluorophenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
benzyl2((3cyano4(4fluorophenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
BENZYL2((5CYANO4(4FLUOROPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)F
InChI=1SC21H17FN2O3Sc22168615(7916)171019(25)2421(18(17)1123)281320(26)2712144213514h1917H101213H2(H2425)
MFCD01832446
ZINC000009329846
ZINC000009329847
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