Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK544729
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)C#N)SCC(=O)Nc1ccc(c(c1)C)C
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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)32-22-11-8-18(3)19(4)15-22)24(16-30)27(26)21-9-12-23(13-10-21)35-7-2/h6,8-13,15,27,31H,1,7,14,17H2,2-5H3,(H,32,33)InChIKey
QHIXXDPPQIOLCS-UHFFFAOYSA-NSynonyms
488089-97-0488089970
allyl5cyano6((2((34dimethylphenyl)amino)2oxoethyl)thio)4(4ethoxyphenyl)2methyl14dihydropyridine3carboxylate
CCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)NC3=CC(=C(C=C3)C)C)C#N
InChI=1SC29H31N3O4Sc16143629(34)2620(5)3128(371725(33)322211818(3)19(4)1522)24(1630)27(26)2191223(131021)3572h6813152731H171417H225H3(H3233)
MFCD03287954
prop2en1yl5cyano6((2((34dimethylphenyl)amino)2oxoethyl)sulfanyl)4(4ethoxyphenyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO6(2(34DIMETHYLANILINO)2OXOETHYL)SULFANYL4(4ETHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020064479
ZINC000020064481
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