Vitas-M small molecule compound

3,4-dinitro-1H-pyrazole-5-carboxylic acid

Catalog ID
STK683814
SMILES [O-][N+](=O)c1c(n[nH]c1C(=O)O)[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 C4H2N4O6 MW 202.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C4H2N4O6/c9-4(10)1-2(7(11)12)3(6-5-1)8(13)14/h(H,5,6)(H,9,10)
InChIKey
WHCXFJISYFMZSN-UHFFFAOYSA-N
Synonyms
297149-34-9
(O)(N+)(=O)c1c(n(nH)c1C(=O)O)(N+)(=O)(O)
34dinitro1Hpyrazole5carboxylicacid
34DINITROPYRAZOLE5CARBOXYLICACID
45DINITRO2HPYRAZOLE3CARBOXYLICACID
45DINITROPYRAZOLE3CARBOXYLICACID
C1(=C(NN=C1(N+)(=O)(O))C(=O)O)(N+)(=O)(O)
Registry IDs
MFCD03990549
ZINC000008295268
ZINC8295268

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Available files

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