Vitas-M small molecule compound
ethyl 5-cyano-6-({2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826729
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1cc(OC)ccc1OC)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 C29H27N3O6S MW 545.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O6S/c1-4-37-29(34)26-25(23-11-8-14-38-23)20(16-30)28(32-27(26)18-9-6-5-7-10-18)39-17-24(33)31-21-15-19(35-2)12-13-22(21)36-3/h5-15,25,32H,4,17H2,1-3H3,(H,31,33)InChIKey
XITLEULMMSPBKV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NC3=C(C=CC(=C3)OC)OC)C4=CC=CC=C4
ethyl5cyano6((2((25dimethoxyphenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2phenyl14dihydropyridine3carboxylate
ETHYL5CYANO6(2(25DIMETHOXYANILINO)2OXOETHYL)SULFANYL4(FURAN2YL)2PHENYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC29H27N3O6Sc143729(34)2625(23118143823)20(1630)28(3227(26)1896571018)391724(33)31211519(352)121322(21)363h5152532H417H213H3(H3133)
MFCD05033534
ZINC000101305298
ZINC000101305303
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