Vitas-M small molecule compound
benzyl {[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK838379
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccc(cc1Cl)Cl
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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 C21H16Cl2N2O3S MW 447.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2N2O3S/c22-14-6-7-15(18(23)8-14)16-9-19(26)25-21(17(16)10-24)29-12-20(27)28-11-13-4-2-1-3-5-13/h1-8,16H,9,11-12H2,(H,25,26)InChIKey
WANAIJOJYBSEAT-UHFFFAOYSA-NSynonyms
benzyl((3cyano4(24dichlorophenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
benzyl2((3cyano4(24dichlorophenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
BENZYL2((5CYANO4(24DICHLOROPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC21H16Cl2N2O3Sc22146715(18(23)814)16919(26)2521(17(16)1024)291220(27)2811134213513h1816H91112H2(H2526)
MFCD02238092
ZINC000009329882
ZINC000009329883
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