Vitas-M small molecule compound
(4E)-4-{[(2-hydroxy-5-nitrophenyl)amino]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL359398
SMILES Cc1ccc(cc1)N1N=C(/C(=C\Nc2cc(ccc2O)[N+](=O)[O-])/C1=O)C
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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 C18H16N4O4 MW 352.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4/c1-11-3-5-13(6-4-11)21-18(24)15(12(2)20-21)10-19-16-9-14(22(25)26)7-8-17(16)23/h3-10,19,23H,1-2H3/b15-10+InChIKey
WBSPIDVAXUVDQY-XNTDXEJSSA-NSynonyms
(4E)4(((2hydroxy5nitrophenyl)amino)methylidene)5methyl2(4methylphenyl)24dihydro3Hpyrazol3one
(4E)4((2hydroxy5nitroanilino)methylidene)5methyl2(4methylphenyl)pyrazol3one
CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=CC(=C3)(N+)(=O)(O))O)C(=N2)C
Cc1ccc(cc1)N1N=C(C(=CNc2cc(ccc2O)(N+)(=O)(O))C1=O)C
InChI=1SC18H16N4O4c1113513(6411)2118(24)15(12(2)2021)101916914(22(25)26)7817(16)23h3101923H12H3b1510+
MFCD28033679
ZINC000034235030
ZINC34235030
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