Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK841477
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1OC)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 C28H29N3O4S MW 503.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4S/c1-6-13-35-28(33)25-19(4)30-27(21(15-29)26(25)20-9-7-8-10-23(20)34-5)36-16-24(32)31-22-14-17(2)11-12-18(22)3/h6-12,14,26,30H,1,13,16H2,2-5H3,(H,31,32)InChIKey
GKMXMXOFDMYGNM-UHFFFAOYSA-NSynonyms
442556-21-0442556210
ALLYL5CYANO6((2((25DIMETHYLPHENYL)AMINO)2OXOETHYL)THIO)4(2METHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ALLYL5CYANO6((2(25DIMETHYLANILINO)2OXOETHYL)SULFANYL)4(2METHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=CC(=C(C=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CC=C3OC)C#N
InChI=1SC28H29N3O4Sc16133528(33)2519(4)3027(21(1529)26(25)209781023(20)345)361624(32)31221417(2)111218(22)3h612142630H11316H225H3(H3132)
MFCD03289735
prop2en1yl5cyano6((2((25dimethylphenyl)amino)2oxoethyl)sulfanyl)4(2methoxyphenyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO6(2(25DIMETHYLANILINO)2OXOETHYL)SULFANYL4(2METHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000019901127
ZINC000019901130
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.