Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-oxo-2-[(4-phenoxyphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK538066
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C
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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 C35H28ClN3O4S MW 622.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28ClN3O4S/c1-23-32(35(41)42-21-24-8-4-2-5-9-24)33(25-12-14-26(36)15-13-25)30(20-37)34(38-23)44-22-31(40)39-27-16-18-29(19-17-27)43-28-10-6-3-7-11-28/h2-19,33,38H,21-22H2,1H3,(H,39,40)InChIKey
MUNXQRYVRANVCJ-UHFFFAOYSA-NSynonyms
benzyl4(4chlorophenyl)5cyano2methyl6((2oxo2((4phenoxyphenyl)amino)ethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano2methyl6((2oxo2((4phenoxyphenyl)amino)ethyl)thio)14dihydropyridine3carboxylate
BENZYL4(4CHLOROPHENYL)5CYANO2METHYL6(2OXO2(4PHENOXYANILINO)ETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl)C(=O)OCC5=CC=CC=C5
InChI=1SC35H28ClN3O4Sc12332(35(41)4221248425924)33(25121426(36)151325)30(2037)34(3823)442231(40)3927161829(191727)4328106371128h2193338H2122H21H3(H3940)
MFCD03000302
ZINC000097999902
ZINC000097999903
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