Vitas-M small molecule compound
prop-2-en-1-yl 5-cyano-6-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK841922
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)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 C28H29N3O5S MW 519.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O5S/c1-6-11-36-28(34)25-18(4)30-27(37-15-24(33)31-21-12-16(2)7-8-17(21)3)20(14-29)26(25)19-9-10-22(32)23(13-19)35-5/h6-10,12-13,26,30,32H,1,11,15H2,2-5H3,(H,31,33)InChIKey
QWAWOXSJFSLZHD-UHFFFAOYSA-NSynonyms
442556-43-6442556436
ALLYL5CYANO6((2((25DIMETHYLPHENYL)AMINO)2OXOETHYL)THIO)4(4HYDROXY3METHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=CC(=C(C=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC(=C(C=C3)O)OC)C#N
InChI=1SC28H29N3O5Sc16113628(34)2518(4)3027(371524(33)31211216(2)7817(21)3)20(1429)26(25)1991022(32)23(1319)355h6101213263032H11115H225H3(H3133)
MFCD03294233
prop2en1yl5cyano6((2((25dimethylphenyl)amino)2oxoethyl)sulfanyl)4(4hydroxy3methoxyphenyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL5CYANO6(2(25DIMETHYLANILINO)2OXOETHYL)SULFANYL4(4HYDROXY3METHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020080876
ZINC000020080879
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