Vitas-M small molecule compound
prop-2-en-1-yl 6-({2-[(3-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK542837
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)Nc1cccc(c1)C(=O)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 C28H27N3O6S MW 533.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O6S/c1-5-11-37-28(35)25-16(2)30-27(21(14-29)26(25)19-9-10-22(33)23(13-19)36-4)38-15-24(34)31-20-8-6-7-18(12-20)17(3)32/h5-10,12-13,26,30,33H,1,11,15H2,2-4H3,(H,31,34)InChIKey
QQIBXDIMFKXPPJ-UHFFFAOYSA-NSynonyms
442556-45-8442556458
ALLYL6((2((3ACETYLPHENYL)AMINO)2OXOETHYL)THIO)5CYANO4(4HYDROXY3METHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)C)C#N)C3=CC(=C(C=C3)O)OC)C(=O)OCC=C
InChI=1SC28H27N3O6Sc15113728(35)2516(2)3027(21(1429)26(25)1991022(33)23(1319)364)381524(34)312086718(1220)17(3)32h5101213263033H11115H224H3(H3134)
MFCD03286542
prop2en1yl6((2((3acetylphenyl)amino)2oxoethyl)sulfanyl)5cyano4(4hydroxy3methoxyphenyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL6(2(3ACETYLANILINO)2OXOETHYL)SULFANYL5CYANO4(4HYDROXY3METHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000097951429
ZINC000097951430
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Check stock on Vitas-MAvailable files
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