Vitas-M small molecule compound

5-bromo-1-(4-fluorobenzyl)-3-nitro-1H-1,2,4-triazole

Catalog ID
STK361389
SMILES Brc1nc(nn1Cc1ccc(cc1)F)[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 C9H6BrFN4O2 MW 301.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H6BrFN4O2/c10-8-12-9(15(16)17)13-14(8)5-6-1-3-7(11)4-2-6/h1-4H,5H2
InChIKey
DBVILYNSFFITFT-UHFFFAOYSA-N
Synonyms
919425-68-6
5BROMO1((4FLUOROPHENYL)METHYL)3NITRO124TRIAZOLE
5bromo1(4fluorobenzyl)3nitro1H124triazole
919425686
Brc1nc(nn1Cc1ccc(cc1)F)(N+)(=O)(O)
C1=CC(=CC=C1CN2C(=NC(=N2)(N+)(=O)(O))Br)F
InChI=1SC9H6BrFN4O2c108129(15(16)17)1314(8)56137(11)426h14H5H2
MFCD09426409
ZINC000014608580
ZINC14608580

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Available files

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