Vitas-M small molecule compound
ethyl 5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886230
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccco1)C#N)SCC(=O)Nc1ccccc1CC)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/c1-3-19-11-8-9-14-22(19)31-24(33)18-37-28-21(17-30)25(23-15-10-16-36-23)26(29(34)35-4-2)27(32-28)20-12-6-5-7-13-20/h5-16,25,32H,3-4,18H2,1-2H3,(H,31,33)InChIKey
KINUXZHKDLNEGR-UHFFFAOYSA-NSynonyms
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C3=CC=CC=C3)C(=O)OCC)C4=CC=CO4)C#N
ethyl5cyano6((2((2ethylphenyl)amino)2oxoethyl)sulfanyl)4(furan2yl)2phenyl14dihydropyridine3carboxylate
ETHYL5CYANO6(2(2ETHYLANILINO)2OXOETHYL)SULFANYL4(FURAN2YL)2PHENYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC29H27N3O4Sc131911891422(19)3124(33)18372821(1730)25(231510163623)26(29(34)3542)27(3228)20126571320h5162532H3418H212H3(H3133)
MFCD05033560
ZINC000020136762
ZINC000020136765
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