Vitas-M small molecule compound

(4-bromo-1H-pyrazol-1-yl)(1-methyl-4-nitro-1H-pyrazol-3-yl)methanone

Catalog ID
STK760265
SMILES Brc1cnn(c1)C(=O)c1nn(cc1[N+](=O)[O-])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 C8H6BrN5O3 MW 300.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H6BrN5O3/c1-12-4-6(14(16)17)7(11-12)8(15)13-3-5(9)2-10-13/h2-4H,1H3
InChIKey
KZBZPLWHTKOEGA-UHFFFAOYSA-N
Synonyms

(4bromo1Hpyrazol1yl)(1methyl4nitro1Hpyrazol3yl)methanone
(4BROMOPYRAZOL1YL)(1METHYL4NITROPYRAZOL3YL)METHANONE
4BROMOPYRAZOLYL1METHYL4NITROPYRAZOL3YLKETONE
Brc1cnn(c1)C(=O)c1nn(cc1(N+)(=O)(O))C
CN1C=C(C(=N1)C(=O)N2C=C(C=N2)Br)(N+)(=O)(O)
InChI=1SC8H6BrN5O3c11246(14(16)17)7(1112)8(15)1335(9)21013h24H1H3
MFCD01450058
ZINC000001063412
ZINC01063412
ZINC1063412

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Available files

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