Vitas-M small molecule compound

4-(quinoxalin-2-yl)phenyl 3,5-dinitrobenzoate

Catalog ID
STK369118
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Oc1ccc(cc1)c1cnc2c(n1)cccc2

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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 C21H12N4O6 MW 416.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N4O6/c26-21(14-9-15(24(27)28)11-16(10-14)25(29)30)31-17-7-5-13(6-8-17)20-12-22-18-3-1-2-4-19(18)23-20/h1-12H
InChIKey
LNRWSTYTALBJQM-UHFFFAOYSA-N
Synonyms

(4QUINOXALIN2YLPHENYL)35DINITROBENZOATE
35DINITROBENZOICACID4QUINOXALIN2YLPHENYLESTER
4(quinoxalin2yl)phenyl35dinitrobenzoate
4QUINOXALIN2YLPHENYL35DINITROBENZOATE
C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC(=O)C4=CC(=CC(=C4)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H12N4O6c2621(14915(24(27)28)1116(1014)25(29)30)31177513(6817)20122218312419(18)2320h112H
MFCD00331365
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))Oc1ccc(cc1)c1cnc2c(n1)cccc2
ZINC000004017349
ZINC04017349
ZINC4017349

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Available files

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