Vitas-M small molecule compound
(4E)-5-methyl-4-(4-nitrobenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK721832
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(cc1)N(=O)=O)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 C17H13N3O3 MW 307.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O3/c1-12-16(11-13-7-9-15(10-8-13)20(22)23)17(21)19(18-12)14-5-3-2-4-6-14/h2-11H,1H3/b16-11+InChIKey
PPHQWNUDYSYGAC-LFIBNONCSA-NSynonyms
132603-48-6(4E)5METHYL4((4NITROPHENYL)METHYLIDENE)2PHENYLPYRAZOL3ONE
(4E)5METHYL4(4NITROBENZYLIDENE)2PHENYL24DIHYDRO3HPYRAZOL3ONE
(E)3methyl4(4nitrobenzylidene)1phenyl1Hpyrazol5(4H)one
132603486
1PHENYL3METHYL4(4NITROBENZYLIDENE)2PYRAZOLINE5ONE
5METHYL4(4NITROBENZYLIDENE)2PHENYL24DIHYDROPYRAZOL3ONE
CC1=NN(C(=O)C1=Cc1ccc(cc1)(N+)(=O)(O))c1ccccc1
CC1=NN(C(=O)C1=Cc1ccc(cc1)N(=O)=O)c1ccccc1
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)(N+)(=O)(O))C3=CC=CC=C3
InChI=1SC17H13N3O3c11216(11137915(10813)20(22)23)17(21)19(1812)145324614h211H1H3b1611+
MFCD00398240
ZINC000100037431
ZINC100037431
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