Vitas-M small molecule compound

(4E)-5-methyl-4-{[(4-nitrophenyl)amino]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL380794
SMILES CC1=NN(C(=O)/C/1=C/Nc1ccc(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 C17H14N4O3 MW 322.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O3/c1-12-16(11-18-13-7-9-15(10-8-13)21(23)24)17(22)20(19-12)14-5-3-2-4-6-14/h2-11,18H,1H3/b16-11+
InChIKey
GJKUANGADYXLQC-LFIBNONCSA-N
Synonyms
57134-92-6
(4E)3METHYL4(((4NITROPHENYL)AMINO)METHYLIDENE)1PHENYL45DIHYDRO1HPYRAZOL5ONE
(4E)5methyl4(((4nitrophenyl)amino)methylidene)2phenyl24dihydro3Hpyrazol3one
(4E)5METHYL4((4NITROANILINO)METHYLENE)2PHENYL24DIHYDRO3HPYRAZOL3ONE
(4E)5METHYL4((4NITROANILINO)METHYLIDENE)2PHENYLPYRAZOL3ONE
3METHYL4(((4NITROPHENYL)AMINO)METHYLENE)1PHENYL12DIAZOLIN5ONE
57134926
5METHYL4((4NITROPHENYLAMINO)METHYLENE)2PHENYL24DIHYDROPYRAZOL3ONE
CC1=NN(C(=O)C1=CNc1ccc(cc1)(N+)(=O)(O))c1ccccc1
CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)(N+)(=O)(O))C3=CC=CC=C3
InChI=1SC17H14N4O3c11216(1118137915(10813)21(23)24)17(22)20(1912)145324614h21118H1H3b1611+
MFCD00127251
PYRAZOL5(4H)ONE3METHYL4(4NITROPHENYLAMINO)METHYLENE1PHENYL
PYRAZOLONE313
ZINC000100148954
ZINC100148954

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.