Vitas-M small molecule compound

5-methyl-3,4-dinitro-1H-pyrazole

Catalog ID
STK301721
SMILES [O-][N+](=O)c1c(C)[nH]nc1[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 C4H4N4O4 MW 172.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C4H4N4O4/c1-2-3(7(9)10)4(6-5-2)8(11)12/h1H3,(H,5,6)
InChIKey
AXIFLJXPRZLOFM-UHFFFAOYSA-N
Synonyms
38859-00-6
(O)(N+)(=O)c1c(C)(nH)nc1(N+)(=O)(O)
1HPYRAZOLE3METHYL45DINITRO
38859006
3METHYL45DINITRO1HPYRAZOLE
3METHYL45DINITROPYRAZOLE
5methyl34dinitro1Hpyrazole
CC1=C(C(=NN1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC4H4N4O4c123(7(9)10)4(652)8(11)12h1H3(H56)
MFCD00195037
PYRAZOLE5METHYL34DINITRO
ZINC000005296576
ZINC5296576

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Available files

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