Vitas-M small molecule compound
N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]-3,5-dinitrobenzamide
Catalog ID
STK063136
SMILES COc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=O)c1cc(cc(c1)[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 C20H14N6O6 MW 434.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N6O6/c1-32-17-5-3-14(4-6-17)24-22-18-7-2-13(10-19(18)23-24)21-20(27)12-8-15(25(28)29)11-16(9-12)26(30)31/h2-11H,1H3,(H,21,27)InChIKey
PXUAZIGZFHLGIC-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC(=C4)(N+)(=O)(O))(N+)(=O)(O)
COc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC20H14N6O6c132175314(4617)2422187213(1019(18)2324)2120(27)12815(25(28)29)1116(912)26(30)31h211H1H3(H2127)
MFCD01064106
N(2(4METHOXYPHENYL)2HBENZOTRIAZOL5YL)35DINITROBENZAMIDE
N(2(4METHOXYPHENYL)BENZOTRIAZOL5YL)35DINITROBENZAMIDE
STK063136
ZINC000013897196
ZINC13897196
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