Vitas-M small molecule compound
methyl 5-cyano-2-hydroxy-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-[4-(propan-2-yl)phenyl]-3,4-dihydropyridine-3-carboxylate
Catalog ID
STK560423
SMILES COC(=O)C1C(=NC(=C(C1c1ccc(cc1)C(C)C)C#N)SCC(=O)Nc1ccc(cc1)OC)O
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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 C26H27N3O5S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5S/c1-15(2)16-5-7-17(8-6-16)22-20(13-27)25(29-24(31)23(22)26(32)34-4)35-14-21(30)28-18-9-11-19(33-3)12-10-18/h5-12,15,22-23H,14H2,1-4H3,(H,28,30)(H,29,31)InChIKey
GFCUYHSIKGIQDX-UHFFFAOYSA-NSynonyms
370855-57-5CC(C)C1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)OC)C(=O)OC
InChI=1SC26H27N3O5Sc115(2)165717(8616)2220(1327)25(2924(31)23(22)26(32)344)351421(30)281891119(333)121018h512152223H14H214H3(H2830)(H2931)
methyl5cyano2hydroxy6((2((4methoxyphenyl)amino)2oxoethyl)sulfanyl)4(4(propan2yl)phenyl)34dihydropyridine3carboxylate
METHYL5CYANO6(2(4METHOXYANILINO)2OXOETHYL)SULFANYL2OXO4(4PROPAN2YLPHENYL)34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03801919
ZINC000002310572
ZINC000002310575
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