Vitas-M small molecule compound

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

Catalog ID
STL414495
SMILES OC(=O)c1cc(nn1C1CCCC1)[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 C9H11N3O4 MW 225.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H11N3O4/c13-9(14)7-5-8(12(15)16)10-11(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,13,14)
InChIKey
AAOKOARUVYPHDM-UHFFFAOYSA-N
Synonyms
1006441-13-9
1006441139
1cyclopentyl3nitro1Hpyrazole5carboxylicacid
1CYCLOPENTYL3NITROPYRAZOLE5CARBOXYLICACID
1HPYRAZOLE5CARBOXYLICACID1CYCLOPENTYL3NITRO
2cyclopentyl5nitropyrazole3carboxylicacid
C1CCC(C1)N2C(=CC(=N2)(N+)(=O)(O))C(=O)O
InChI=1SC9H11N3O4c139(14)758(12(15)16)1011(7)631246h56H14H2(H1314)
MFCD06805253
OC(=O)c1cc(nn1C1CCCC1)(N+)(=O)(O)
ZINC000020313865
ZINC20313865

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Available files

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