Vitas-M small molecule compound

2-(4-nitro-1H-pyrazol-1-yl)butanoic acid

Catalog ID
STK312667
SMILES CCC(n1ncc(c1)[N+](=O)[O-])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/c1-2-6(7(11)12)9-4-5(3-8-9)10(13)14/h3-4,6H,2H2,1H3,(H,11,12)
InChIKey
WCWIOBFYLVTFFO-UHFFFAOYSA-N
Synonyms
1005669-62-4
1005669624
2(4nitro1Hpyrazol1yl)butanoicacid
2(4nitropyrazol1yl)butanoicacid
2(4NITROPYRAZOL1YL)BUTYRICACID
2(4NITROPYRAZOLYL)BUTANOICACID
CCC(C(=O)O)N1C=C(C=N1)(N+)(=O)(O)
CCC(n1ncc(c1)(N+)(=O)(O))C(=O)O
InChI=1SC7H9N3O4c126(7(11)12)945(389)10(13)14h346H2H21H3(H1112)
MFCD04967807
ZINC000002535191
ZINC000002731983

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Available files

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