Vitas-M small molecule compound

1-(4-bromobenzyl)-3-nitro-1H-pyrazole

Catalog ID
STK349925
SMILES Brc1ccc(cc1)Cn1ccc(n1)[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 C10H8BrN3O2 MW 282.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8BrN3O2/c11-9-3-1-8(2-4-9)7-13-6-5-10(12-13)14(15)16/h1-6H,7H2
InChIKey
XHZSBISXMJRJSE-UHFFFAOYSA-N
Synonyms
957320-40-0
1((4BROMOPHENYL)METHYL)3NITROPYRAZOLE
1(4bromobenzyl)3nitro1Hpyrazole
957320400
Brc1ccc(cc1)Cn1ccc(n1)(N+)(=O)(O)
C1=CC(=CC=C1CN2C=CC(=N2)(N+)(=O)(O))Br
InChI=1SC10H8BrN3O2c119318(249)7136510(1213)14(15)16h16H7H2
MFCD05861661
ZINC000001125774
ZINC01125774
ZINC1125774

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Available files

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