Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK542955
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)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 C29H31N3O4S MW 517.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4S/c1-6-14-36-29(34)26-20(5)31-28(37-17-25(33)32-24-15-18(3)8-9-19(24)4)23(16-30)27(26)21-10-12-22(13-11-21)35-7-2/h6,8-13,15,27,31H,1,7,14,17H2,2-5H3,(H,32,33)InChIKey
HWHLDFDCCLZCIG-UHFFFAOYSA-NSynonyms
499211-68-6499211686
allyl5cyano6((2((25dimethylphenyl)amino)2oxoethyl)thio)4(4ethoxyphenyl)2methyl14dihydropyridine3carboxylate
CCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)NC3=C(C=CC(=C3)C)C)C#N
InChI=1SC29H31N3O4Sc16143629(34)2620(5)3128(371725(33)32241518(3)8919(24)4)23(1630)27(26)21101222(131121)3572h6813152731H171417H225H3(H3233)
MFCD03303865
prop2en1yl5cyano6((2((25dimethylphenyl)amino)2oxoethyl)sulfanyl)4(4ethoxyphenyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO6(2(25DIMETHYLANILINO)2OXOETHYL)SULFANYL4(4ETHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020130279
ZINC000020130282
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