Vitas-M small molecule compound
ethyl 5-cyano-6-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886192
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1cccc(c1C)C)c1ccccc1
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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 C29H27N3O4S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S/c1-4-35-29(34)26-25(23-14-9-15-36-23)21(16-30)28(32-27(26)20-11-6-5-7-12-20)37-17-24(33)31-22-13-8-10-18(2)19(22)3/h5-15,25,32H,4,17H2,1-3H3,(H,31,33)InChIKey
XQIOGJYFSISKNU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NC3=CC=CC(=C3C)C)C4=CC=CC=C4
ethyl5cyano6((2((23dimethylphenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2phenyl14dihydropyridine3carboxylate
ETHYL5CYANO6(2(23DIMETHYLANILINO)2OXOETHYL)SULFANYL4(FURAN2YL)2PHENYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC29H27N3O4Sc143529(34)2625(23149153623)21(1630)28(3227(26)20116571220)371724(33)31221381018(2)19(22)3h5152532H417H213H3(H3133)
MFCD05033527
ZINC000020136783
ZINC000020136786
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