Vitas-M small molecule compound
(4Z)-4-(2-methoxy-5-nitrobenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK698816
SMILES COc1ccc(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)C)[N+](=O)[O-]
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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 C18H15N3O4 MW 337.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O4/c1-12-16(18(22)20(19-12)14-6-4-3-5-7-14)11-13-10-15(21(23)24)8-9-17(13)25-2/h3-11H,1-2H3/b16-11-InChIKey
XKNIWNIEUYEFJN-WJDWOHSUSA-NSynonyms
(4Z)4((2METHOXY5NITROPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4Z)4(2methoxy5nitrobenzylidene)5methyl2phenyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)(N+)(=O)(O))OC)C3=CC=CC=C3
COc1ccc(cc1C=C1C(=NN(C1=O)c1ccccc1)C)(N+)(=O)(O)
InChI=1SC18H15N3O4c11216(18(22)20(1912)146435714)11131015(21(23)24)8917(13)252h311H12H3b1611
MFCD01053802
ZINC000012412709
ZINC12412709
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