Vitas-M small molecule compound

4-amino-1-[2-(2-bromophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium

Catalog ID
STL322821
SMILES N[n+]1cnn(c1)CC(=O)c1ccccc1Br

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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 C10H10BrN4O MW 282.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H10BrN4O/c11-9-4-2-1-3-8(9)10(16)5-15-7-14(12)6-13-15/h1-4,6-7H,5,12H2/q+1
InChIKey
JRILALYJQFCSDW-UHFFFAOYSA-N
Synonyms

2(4AMINO124TRIAZOL4IUM1YL)1(2BROMOPHENYL)ETHANONE
4AMINO1(2(2BROMOPHENYL)2OXOETHYL)1H(124)TRIAZOL4IUM
4amino1(2(2bromophenyl)2oxoethyl)1H124triazol4ium
4amino1(2(2bromophenyl)2oxoethyl)1H124triazol4iumbromide
C1=CC=C(C(=C1)C(=O)CN2C=(N+)(C=N2)N)Br
InChI=1SC10H10BrN4Oc11942138(9)10(16)515714(12)61315h1467H512H2q+1
MFCD00804952
N(n+)1cnn(c1)CC(=O)c1ccccc1Br
N(n+)1cnn(c1)CC(=O)c1ccccc1Br(Br)
ZINC000002586879
ZINC02586879
ZINC2586879

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Available files

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