Vitas-M small molecule compound
prop-2-en-1-yl 4-(4-chlorophenyl)-5-cyano-6-{[2-(diphenylamino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK549228
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)N(c1ccccc1)c1ccccc1
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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 C31H26ClN3O3S MW 556.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26ClN3O3S/c1-3-18-38-31(37)28-21(2)34-30(26(19-33)29(28)22-14-16-23(32)17-15-22)39-20-27(36)35(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h3-17,29,34H,1,18,20H2,2H3InChIKey
KVGLDLBHOQZZHE-UHFFFAOYSA-NSynonyms
allyl4(4chlorophenyl)5cyano6((2(diphenylamino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl)C(=O)OCC=C
InChI=1SC31H26ClN3O3Sc13183831(37)2821(2)3430(26(1933)29(28)22141623(32)171522)392027(36)35(24106471124)25128591325h3172934H11820H22H3
MFCD03672154
prop2en1yl4(4chlorophenyl)5cyano6((2(diphenylamino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL4(4CHLOROPHENYL)5CYANO2METHYL6(2OXO2(NPHENYLANILINO)ETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000098000339
ZINC000098000340
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