Vitas-M small molecule compound

methyl 5-nitro-1H-pyrazole-3-carboxylate

Catalog ID
STK346689
SMILES [O-][N+](=O)c1cc(n[nH]1)C(=O)OC

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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 C5H5N3O4 MW 171.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C5H5N3O4/c1-12-5(9)3-2-4(7-6-3)8(10)11/h2H,1H3,(H,6,7)
InChIKey
OTINMTPELZSAPX-UHFFFAOYSA-N
Synonyms
181585-93-3
(O)(N+)(=O)c1cc(n(nH)1)C(=O)OC
181585933
1HPYRAZOLE3CARBOXYLICACID5NITROMETHYLESTER
1HPYRAZOLE5CARBOXYLICACID3NITROMETHYLESTER
3METHOXYCARBONYL5NITROPYRAZOLE
3NITROPYRAZOLE5CARBOXYLICACIDMETHYLESTER
5NITRO1HPYRAZOLE3CARBOXYLICACIDMETHYLESTER
5NITRO2HPYRAZOLE3CARBOXYLICACIDMETHYLESTER
5NITRO3PYRAZOLECARBOXYLICACIDMETHYLESTER
COC(=O)C1=CC(=NN1)(N+)(=O)(O)
InChI=1SC5H5N3O4c1125(9)324(763)8(10)11h2H1H3(H67)
METHYL3NITRO1HPYRAZOLE5CARBOXYLATE
METHYL3NITROPYRAZOLE5CARBOXYLATE
METHYL5NITRO1HPYRAZOLE3CARBOXYLATE
METHYL5NITRO2HPYRAZOLE3CARBOXYLATE
METHYL5NITRO3PYRAZOLECARBOXYLATE
METHYLNITROPYRAZOLECARBOXYLATE
MFCD08236713
ZINC000003908866
ZINC03908866
ZINC3908866

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Available files

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