Vitas-M small molecule compound
bis(4-nitrobenzyl) benzene-1,4-dicarboxylate
Catalog ID
STK728609
SMILES O=C(c1ccc(cc1)C(=O)OCc1ccc(cc1)[N+](=O)[O-])OCc1ccc(cc1)[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 C22H16N2O8 MW 436.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O8/c25-21(31-13-15-1-9-19(10-2-15)23(27)28)17-5-7-18(8-6-17)22(26)32-14-16-3-11-20(12-4-16)24(29)30/h1-12H,13-14H2InChIKey
JNOBYCFEIDNMMN-UHFFFAOYSA-NSynonyms
BIS((4NITROPHENYL)METHYL)BENZENE14DICARBOXYLATE
bis(4nitrobenzyl)benzene14dicarboxylate
C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC22H16N2O8c2521(3113151919(10215)23(27)28)175718(8617)22(26)32141631120(12416)24(29)30h112H1314H2
MFCD00636942
O=C(c1ccc(cc1)C(=O)OCc1ccc(cc1)(N+)(=O)(O))OCc1ccc(cc1)(N+)(=O)(O)
ZINC000002028851
ZINC02028851
ZINC2028851
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