Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-{[2-(diphenylamino)-2-oxoethyl]sulfanyl}-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK552884
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1)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 C31H27N3O3S MW 521.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O3S/c1-3-19-37-31(36)28-22(2)33-30(26(20-32)29(28)23-13-7-4-8-14-23)38-21-27(35)34(24-15-9-5-10-16-24)25-17-11-6-12-18-25/h3-18,29,33H,1,19,21H2,2H3InChIKey
FMBPZRLIAFBBTR-UHFFFAOYSA-NSynonyms
799769-23-6799769236
allyl5cyano6((2(diphenylamino)2oxoethyl)thio)2methyl4phenyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C#N)C4=CC=CC=C4)C(=O)OCC=C
InChI=1SC31H27N3O3Sc13193731(36)2822(2)3330(26(2032)29(28)23137481423)382127(35)34(241595101624)2517116121825h3182933H11921H22H3
MFCD03671064
prop2en1yl5cyano6((2(diphenylamino)2oxoethyl)sulfanyl)2methyl4phenyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO2METHYL6(2OXO2(NPHENYLANILINO)ETHYL)SULFANYL4PHENYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020170563
ZINC000020170565
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