Vitas-M small molecule compound

3-nitro-1-propyl-1H-pyrazole-5-carboxylic acid

Catalog ID
STK350127
SMILES [O-][N+](=O)c1cc(n(n1)CCC)C(=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 C7H9N3O4 MW 199.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H9N3O4/c1-2-3-9-5(7(11)12)4-6(8-9)10(13)14/h4H,2-3H2,1H3,(H,11,12)
InChIKey
KNTOYMYZRCVKPJ-UHFFFAOYSA-N
Synonyms
1006950-66-8
(O)(N+)(=O)c1cc(n(n1)CCC)C(=O)O
1006950668
3nitro1propyl1Hpyrazole5carboxylicacid
3NITRO1PROPYLPYRAZOLE5CARBOXYLICACID
5NITRO2PROPYL2HPYRAZOLE3CARBOXYLICACID
5nitro2propylpyrazole3carboxylicacid
CCCN1C(=CC(=N1)(N+)(=O)(O))C(=O)O
InChI=1SC7H9N3O4c12395(7(11)12)46(89)10(13)14h4H23H21H3(H1112)
MFCD06805248
ZINC000012357794
ZINC12357794

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Available files

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