Vitas-M small molecule compound
(4E)-5-methyl-2-(4-methylphenyl)-4-{[(2-nitrophenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK751271
SMILES Cc1ccc(cc1)N1N=C(/C(=C\Nc2ccccc2[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 C18H16N4O3 MW 336.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3/c1-12-7-9-14(10-8-12)21-18(23)15(13(2)20-21)11-19-16-5-3-4-6-17(16)22(24)25/h3-11,19H,1-2H3/b15-11+InChIKey
SKRVHHBRXLVTIY-RVDMUPIBSA-NSynonyms
(4E)5methyl2(4methylphenyl)4(((2nitrophenyl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)5METHYL2(4METHYLPHENYL)4((2NITROANILINO)METHYLIDENE)PYRAZOL3ONE
CC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC=CC=C3(N+)(=O)(O))C(=N2)C
Cc1ccc(cc1)N1N=C(C(=CNc2ccccc2(N+)(=O)(O))C1=O)C
InChI=1SC18H16N4O3c1127914(10812)2118(23)15(13(2)2021)111916534617(16)22(24)25h31119H12H3b1511+
MFCD00746806
ZINC000100041051
ZINC100041051
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