Vitas-M small molecule compound
prop-2-en-1-yl 4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK547836
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1cc(C)ccc1C
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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 C35H35N3O5S MW 609.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N3O5S/c1-6-16-42-35(40)32-24(4)37-34(44-21-31(39)38-28-17-22(2)12-13-23(28)3)27(19-36)33(32)26-14-15-29(30(18-26)41-5)43-20-25-10-8-7-9-11-25/h6-15,17-18,33,37H,1,16,20-21H2,2-5H3,(H,38,39)InChIKey
XWOMXRZUEIPTSN-UHFFFAOYSA-NSynonyms
allyl4(4(benzyloxy)3methoxyphenyl)5cyano6((2((25dimethylphenyl)amino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
CC1=CC(=C(C=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C#N
InChI=1SC35H35N3O5Sc16164235(40)3224(4)3734(442131(39)38281722(2)121323(28)3)27(1936)33(32)26141529(30(1826)415)432025108791125h61517183337H1162021H225H3(H3839)
MFCD03665597
prop2en1yl4(4(benzyloxy)3methoxyphenyl)5cyano6((2((25dimethylphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO6(2(25DIMETHYLANILINO)2OXOETHYL)SULFANYL4(3METHOXY4PHENYLMETHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000097999829
ZINC000097999830
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