Vitas-M small molecule compound
prop-2-en-1-yl 4-(4-chlorophenyl)-5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK541658
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccccc1CC
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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 C27H26ClN3O3S MW 508.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O3S/c1-4-14-34-27(33)24-17(3)30-26(21(15-29)25(24)19-10-12-20(28)13-11-19)35-16-23(32)31-22-9-7-6-8-18(22)5-2/h4,6-13,25,30H,1,5,14,16H2,2-3H3,(H,31,32)InChIKey
QGGUPWQNMOPRHK-UHFFFAOYSA-NSynonyms
488839-67-4488839674
allyl4(4chlorophenyl)5cyano6((2((2ethylphenyl)amino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=C(C=C3)Cl)C#N
InChI=1SC27H26ClN3O3Sc14143427(33)2417(3)3026(21(1529)25(24)19101220(28)131119)351623(32)3122976818(22)52h46132530H151416H223H3(H3132)
MFCD03294146
prop2en1yl4(4chlorophenyl)5cyano6((2((2ethylphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL4(4CHLOROPHENYL)5CYANO6(2(2ETHYLANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020080791
ZINC000020080795
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