Vitas-M small molecule compound
2-(2H-benzotriazol-2-yl)-4-methylphenyl 2-methyl-3,5-dinitrobenzoate
Catalog ID
STK728241
SMILES Cc1ccc(c(c1)n1nc2c(n1)cccc2)OC(=O)c1cc(cc(c1C)[N+](=O)[O-])[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 C21H15N5O6 MW 433.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O6/c1-12-7-8-20(19(9-12)24-22-16-5-3-4-6-17(16)23-24)32-21(27)15-10-14(25(28)29)11-18(13(15)2)26(30)31/h3-11H,1-2H3InChIKey
RWNSISXTKXKNLX-UHFFFAOYSA-NSynonyms
309719-19-5(2(BENZOTRIAZOL2YL)4METHYLPHENYL)2METHYL35DINITROBENZOATE
2(2H123BENZOTRIAZOL2YL)4METHYLPHENYL35BISNITRO2METHYLBENZOATE
2(2Hbenzotriazol2yl)4methylphenyl2methyl35dinitrobenzoate
2METHYL35DINITROBENZOICACID2BENZOTRIAZOL2YL4METHYLPHENYLESTER
309719195
CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2C)(N+)(=O)(O))(N+)(=O)(O))N3N=C4C=CC=CC4=N3
Cc1ccc(c(c1)n1nc2c(n1)cccc2)OC(=O)c1cc(cc(c1C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H15N5O6c1127820(19(912)242216534617(16)2324)3221(27)151014(25(28)29)1118(13(15)2)26(30)31h311H12H3
MFCD00594208
ZINC000002067705
ZINC02067705
ZINC2067705
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