Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826202
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)C#N)SCC(=O)Nc1cccc(c1)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 C28H29N3O4S MW 503.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4S/c1-5-14-35-28(33)25-19(4)30-27(36-17-24(32)31-21-9-7-8-18(3)15-21)23(16-29)26(25)20-10-12-22(13-11-20)34-6-2/h5,7-13,15,26,30H,1,6,14,17H2,2-4H3,(H,31,32)InChIKey
CIPAFAVGGOCPJM-UHFFFAOYSA-NSynonyms
442556-36-7442556367
ALLYL5CYANO4(4ETHOXYPHENYL)2METHYL6((2OXO2(MTOLYLAMINO)ETHYL)THIO)14DIHYDROPYRIDINE3CARBOXYLATE
CCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)NC3=CC=CC(=C3)C)C#N
InChI=1SC28H29N3O4Sc15143528(33)2519(4)3027(361724(32)312197818(3)1521)23(1629)26(25)20101222(131120)3462h5713152630H161417H224H3(H3132)
MFCD03290036
prop2en1yl5cyano4(4ethoxyphenyl)2methyl6((2((3methylphenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO4(4ETHOXYPHENYL)2METHYL6(2(3METHYLANILINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020065174
ZINC000020065176
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