Vitas-M small molecule compound
ethyl 5-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-(4-fluorophenyl)-3-[(phenylcarbonyl)amino]pyrazine-2-carboxylate
Catalog ID
STK684188
SMILES CCOC(=O)c1nc(c2ccc(cc2)F)c(nc1NC(=O)c1ccccc1)c1c(=O)n(n(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 C31H26FN5O4 MW 551.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26FN5O4/c1-4-41-31(40)27-28(35-29(38)21-11-7-5-8-12-21)34-26(25(33-27)20-15-17-22(32)18-16-20)24-19(2)36(3)37(30(24)39)23-13-9-6-10-14-23/h5-18H,4H2,1-3H3,(H,34,35,38)InChIKey
XEWSSMQBCWFWML-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NC(=C(N=C1NC(=O)C2=CC=CC=C2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC=C(C=C5)F
ETHYL3BENZAMIDO5(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)6(4FLUOROPHENYL)PYRAZINE2CARBOXYLATE
ethyl5(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)6(4fluorophenyl)3((phenylcarbonyl)amino)pyrazine2carboxylate
InChI=1SC31H26FN5O4c144131(40)2728(3529(38)21117581221)3426(25(3327)20151722(32)181620)2419(2)36(3)37(30(24)39)231396101423h518H4H213H3(H343538)
MFCD05259911
ZINC000098006391
ZINC98006391
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