Vitas-M small molecule compound

3-nitro-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

Catalog ID
STL415341
SMILES [O-][N+](=O)c1nn(cc1C(=O)O)C(C)C

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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 C7H9N3O4 MW 199.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H9N3O4/c1-4(2)9-3-5(7(11)12)6(8-9)10(13)14/h3-4H,1-2H3,(H,11,12)
InChIKey
GVLDHZKRIYDVHG-UHFFFAOYSA-N
Synonyms
1795414-76-4
(O)(N+)(=O)c1nn(cc1C(=O)O)C(C)C
1795414764
3nitro1(propan2yl)1Hpyrazole4carboxylicacid
CC(C)N1C=C(C(=N1)(N+)(=O)(O))C(=O)O
InChI=1SC7H9N3O4c14(2)935(7(11)12)6(89)10(13)14h34H12H3(H1112)
MFCD28155640
ZINC000095836852
ZINC95836852

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Available files

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