Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK841690
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)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 C27H27N3O5S MW 505.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5S/c1-5-12-35-27(33)24-17(3)29-26(36-15-23(32)30-19-9-6-16(2)7-10-19)20(14-28)25(24)18-8-11-21(31)22(13-18)34-4/h5-11,13,25,29,31H,1,12,15H2,2-4H3,(H,30,32)InChIKey
AQGFLZTYRRRNOO-UHFFFAOYSA-NSynonyms
442556-39-0442556390
ALLYL5CYANO4(4HYDROXY3METHOXYPHENYL)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(=C(C=C3)O)OC)C#N
InChI=1SC27H27N3O5Sc15123527(33)2417(3)2926(361523(32)30199616(2)71019)20(1428)25(24)1881121(31)22(1318)344h51113252931H11215H224H3(H3032)
MFCD03300440
prop2en1yl5cyano4(4hydroxy3methoxyphenyl)2methyl6((2((4methylphenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
PROP2ENYL5CYANO4(4HYDROXY3METHOXYPHENYL)2METHYL6(2(4METHYLANILINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020101738
ZINC000020101741
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