Vitas-M small molecule compound
prop-2-en-1-yl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-oxo-2-[(4-phenoxyphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK542488
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(cc1)Oc1ccccc1
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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 C31H26ClN3O4S MW 572.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26ClN3O4S/c1-3-17-38-31(37)28-20(2)34-30(26(18-33)29(28)21-9-11-22(32)12-10-21)40-19-27(36)35-23-13-15-25(16-14-23)39-24-7-5-4-6-8-24/h3-16,29,34H,1,17,19H2,2H3,(H,35,36)InChIKey
ZNOBJBSRNRSMMB-UHFFFAOYSA-NSynonyms
allyl4(4chlorophenyl)5cyano2methyl6((2oxo2((4phenoxyphenyl)amino)ethyl)thio)14dihydropyridine3carboxylate
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)OCC=C
InChI=1SC31H26ClN3O4Sc13173831(37)2820(2)3430(26(1833)29(28)2191122(32)121021)401927(36)3523131525(161423)39247546824h3162934H11719H22H3(H3536)
MFCD03292459
prop2en1yl4(4chlorophenyl)5cyano2methyl6((2oxo2((4phenoxyphenyl)amino)ethyl)sulfanyl)14dihydropyridine3carboxylate
PROP2ENYL4(4CHLOROPHENYL)5CYANO2METHYL6(2OXO2(4PHENOXYANILINO)ETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000098000148
ZINC000098000149
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