Vitas-M small molecule compound

(4E)-5-methyl-2-(4-nitrophenyl)-4-[2-(3-nitrophenyl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK040139
SMILES CC1=NN(C(=O)/C/1=N/Nc1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[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 C16H12N6O5 MW 368.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N6O5/c1-10-15(18-17-11-3-2-4-14(9-11)22(26)27)16(23)20(19-10)12-5-7-13(8-6-12)21(24)25/h2-9,17H,1H3/b18-15+
InChIKey
COYIFMRLBNLJLS-OBGWFSINSA-N
Synonyms

(4E)5METHYL2(4NITROPHENYL)4((3NITROPHENYL)HYDRAZINYLIDENE)PYRAZOL3ONE
(4E)5METHYL2(4NITROPHENYL)4(2(3NITROPHENYL)HYDRAZINYLIDENE)24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=NNc1cccc(c1)(N+)(=O)(O))c1ccc(cc1)(N+)(=O)(O)
CC1=NN(C(=O)C1=NNC2=CC(=CC=C2)(N+)(=O)(O))C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H12N6O5c11015(18171132414(911)22(26)27)16(23)20(1910)125713(8612)21(24)25h2917H1H3b1815+
MFCD00360862
STK040139
ZINC000101426753
ZINC13574741

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Available files

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