Vitas-M small molecule compound

N-butyl-3-nitro-1H-pyrazole-5-carboxamide

Catalog ID
STK342430
SMILES [O-][N+](=O)c1cc([nH]n1)C(=O)NCCCC

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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 C8H12N4O3 MW 212.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H12N4O3/c1-2-3-4-9-8(13)6-5-7(11-10-6)12(14)15/h5H,2-4H2,1H3,(H,9,13)(H,10,11)
InChIKey
DHMSBHOASRAIOM-UHFFFAOYSA-N
Synonyms
300691-02-5
(O)(N+)(=O)c1cc((nH)n1)C(=O)NCCCC
300691025
5NITRO2HPYRAZOLE3CARBOXYLICACIDBUTYLAMIDE
CCCCNC(=O)C1=CC(=NN1)(N+)(=O)(O)
InChI=1SC8H12N4O3c123498(13)657(11106)12(14)15h5H24H21H3(H913)(H1011)
MFCD00628790
NBUTYL(3NITROPYRAZOL5YL)CARBOXAMIDE
Nbutyl3nitro1Hpyrazole5carboxamide
ZINC000003833276
ZINC3833276

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Available files

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