Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-2-methyl-4-(4-methylphenyl)-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK842031
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)C)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 C27H27N3O3S MW 473.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S/c1-5-14-33-27(32)24-19(4)29-26(22(15-28)25(24)20-10-6-17(2)7-11-20)34-16-23(31)30-21-12-8-18(3)9-13-21/h5-13,25,29H,1,14,16H2,2-4H3,(H,30,31)InChIKey
JPCISTLFINPRGV-UHFFFAOYSA-NSynonyms
442556-33-4442556334
ALLYL5CYANO2METHYL6((2OXO2(PTOLYLAMINO)ETHYL)THIO)4(PTOLYL)14DIHYDROPYRIDINE3CARBOXYLATE
CC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)NC3=CC=C(C=C3)C)C#N
InChI=1SC27H27N3O3Sc15143327(32)2419(4)2926(22(1528)25(24)2010617(2)71120)341623(31)302112818(3)91321h5132529H11416H224H3(H3031)
MFCD03295846
prop2en1yl5cyano2methyl4(4methylphenyl)6((2((4methylphenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO2METHYL6(2(4METHYLANILINO)2OXOETHYL)SULFANYL4(4METHYLPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020082067
ZINC000020082070
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