Vitas-M small molecule compound
benzyl {[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK013079
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccccc1Cl
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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 C21H17ClN2O3S MW 412.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O3S/c22-18-9-5-4-8-15(18)16-10-19(25)24-21(17(16)11-23)28-13-20(26)27-12-14-6-2-1-3-7-14/h1-9,16H,10,12-13H2,(H,24,25)InChIKey
IUSVEWUIQPSYOX-UHFFFAOYSA-NSynonyms
332045-96-2332045962
benzyl((4(2chlorophenyl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
benzyl2((4(2chlorophenyl)3cyano6oxo1456tetrahydropyridin2yl)thio)acetate
BENZYL2((4(2CHLOROPHENYL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl
InChI=1SC21H17ClN2O3Sc2218954815(18)161019(25)2421(17(16)1123)281320(26)2712146213714h1916H101213H2(H2425)
MFCD01461346
N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)CC1c1ccccc1Cl
STK013079
ZINC000009110649
ZINC000009110650
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