Vitas-M small molecule compound
2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-nitrobenzoate
Catalog ID
STK862826
SMILES Cc1ccc(c(c1)n1nc2c(n1)cccc2)OC(=O)c1ccc(c(c1)[N+](=O)[O-])Br
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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 C20H13BrN4O4 MW 453.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13BrN4O4/c1-12-6-9-19(18(10-12)24-22-15-4-2-3-5-16(15)23-24)29-20(26)13-7-8-14(21)17(11-13)25(27)28/h2-11H,1H3InChIKey
YNVCHJJPELHBEJ-UHFFFAOYSA-NSynonyms
301207-80-7(2(BENZOTRIAZOL2YL)4METHYLPHENYL)4BROMO3NITROBENZOATE
2(2H123BENZOTRIAZOL2YL)4METHYLPHENYL4BROMO3NITROBENZOATE
2(2Hbenzo(d)(123)triazol2yl)4methylphenyl4bromo3nitrobenzoate
2(2Hbenzotriazol2yl)4methylphenyl4bromo3nitrobenzoate
301207807
4BROMO3NITROBENZOICACID2BENZOTRIAZOL2YL4METHYLPHENYLESTER
CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)(N+)(=O)(O))N3N=C4C=CC=CC4=N3
Cc1ccc(c(c1)n1nc2c(n1)cccc2)OC(=O)c1ccc(c(c1)(N+)(=O)(O))Br
InChI=1SC20H13BrN4O4c1126919(18(1012)242215423516(15)2324)2920(26)137814(21)17(1113)25(27)28h211H1H3
MFCD00347985
ZINC000000710927
ZINC00710927
ZINC710927
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