Vitas-M small molecule compound
2,5,8-tris(2,4-dinitrophenyl)-5,8-dihydro-2H-benzo[1,2-d:3,4-d':5,6-d'']tris[1,2,3]triazole
Catalog ID
STK667954
SMILES [O-][N+](=O)c1cc(ccc1n1nc2c(n1)c1nn(nc1c1c2nn(n1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])[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 C24H9N15O12 MW 699.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H9N15O12/c40-34(41)10-1-4-13(16(7-10)37(46)47)31-25-19-20(26-31)22-24(30-33(28-22)15-6-3-12(36(44)45)9-18(15)39(50)51)23-21(19)27-32(29-23)14-5-2-11(35(42)43)8-17(14)38(48)49/h1-9HInChIKey
JBXGXBDYHKJOTI-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1n1nc2c(n1)c1nn(nc1c1c2nn(n1)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
258tris(24dinitrophenyl)58dihydro2Hbenzo(12d34d56d)tris(123)triazole
C1=CC(=C(C=C1(N+)(=O)(O))(N+)(=O)(O))N2N=C3C4=NN(N=C4C5=NN(N=C5C3=N2)C6=C(C=C(C=C6)(N+)(=O)(O))(N+)(=O)(O))C7=C(C=C(C=C7)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC24H9N15O12c4034(41)101413(16(710)37(46)47)31251920(2631)2224(3033(2822)156312(36(44)45)918(15)39(50)51)2321(19)2732(2923)145211(35(42)43)817(14)38(48)49h19H
MFCD00741355
ZINC000033353780
ZINC33353780
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.