Vitas-M small molecule compound

1H-benzotriazol-1-yl(4-bromophenyl)methanone

Catalog ID
STK416413
SMILES Brc1ccc(cc1)C(=O)n1nnc2c1cccc2

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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 C13H8BrN3O MW 302.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8BrN3O/c14-10-7-5-9(6-8-10)13(18)17-12-4-2-1-3-11(12)15-16-17/h1-8H
InChIKey
HJPNHGVNYCBIIB-UHFFFAOYSA-N
Synonyms
313225-01-3
1(4BROMOBENZOYL)1HBENZOTRIAZOLE
1Hbenzotriazol1yl(4bromophenyl)methanone
313225013
BENZOTRIAZOL1YL(4BROMOPHENYL)METHANONE
BENZOTRIAZOLYL4BROMOPHENYLKETONE
C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=C(C=C3)Br
InChI=1SC13H8BrN3Oc1410759(6810)13(18)1712421311(12)151617h18H
MFCD00517334
ZINC000000064757
ZINC00064757
ZINC64757

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Available files

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