Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-4-(2-methoxyphenyl)-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK842162
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1OC)C#N)SCC(=O)Nc1ccc(cc1)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 C27H27N3O4S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S/c1-5-14-34-27(32)24-18(3)29-26(35-16-23(31)30-19-12-10-17(2)11-13-19)21(15-28)25(24)20-8-6-7-9-22(20)33-4/h5-13,25,29H,1,14,16H2,2-4H3,(H,30,31)InChIKey
IGVXAYHFITWPGX-UHFFFAOYSA-NSynonyms
488110-37-8488110378
allyl5cyano4(2methoxyphenyl)2methyl6((2oxo2(ptolylamino)ethyl)thio)14dihydropyridine3carboxylate
CC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CC=C3OC)C#N
InChI=1SC27H27N3O4Sc15143427(32)2418(3)2926(351623(31)3019121017(2)111319)21(1528)25(24)20867922(20)334h5132529H11416H224H3(H3031)
MFCD03289117
prop2en1yl5cyano4(2methoxyphenyl)2methyl6((2((4methylphenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO4(2METHOXYPHENYL)2METHYL6(2(4METHYLANILINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020064848
ZINC000020064850
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