Vitas-M small molecule compound
5-methyl-2-(4-methylphenyl)-4-(2-nitrobenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK751241
SMILES Cc1ccc(cc1)N1N=C(/C(=C\c2ccccc2[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 C18H15N3O3 MW 321.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O3/c1-12-7-9-15(10-8-12)20-18(22)16(13(2)19-20)11-14-5-3-4-6-17(14)21(23)24/h3-11H,1-2H3/b16-11+InChIKey
YGPLBYMHBLFPEX-LFIBNONCSA-NSynonyms
(4E)5methyl2(4methylphenyl)4((2nitrophenyl)methylidene)pyrazol3one
5methyl2(4methylphenyl)4(2nitrobenzylidene)24dihydro3Hpyrazol3one
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3(N+)(=O)(O))C(=N2)C
Cc1ccc(cc1)N1N=C(C(=Cc2ccccc2(N+)(=O)(O))C1=O)C
InChI=1SC18H15N3O3c1127915(10812)2018(22)16(13(2)1920)1114534617(14)21(23)24h311H12H3b1611+
MFCD00638596
ZINC000005339978
ZINC000005730507
ZINC05730507
ZINC5730507
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