Vitas-M small molecule compound

4-acetylbenzene-1,3-diyl bis(4-nitrobenzoate)

Catalog ID
STK388861
SMILES CC(=O)c1ccc(cc1OC(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)c1ccc(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 C22H14N2O9 MW 450.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N2O9/c1-13(25)19-11-10-18(32-21(26)14-2-6-16(7-3-14)23(28)29)12-20(19)33-22(27)15-4-8-17(9-5-15)24(30)31/h2-12H,1H3
InChIKey
LGMPVXVPAVUTSS-UHFFFAOYSA-N
Synonyms
297742-69-9
(4ACETYL3(4NITROBENZOYL)OXYPHENYL)4NITROBENZOATE
297742699
4acetylbenzene13diylbis(4nitrobenzoate)
CC(=O)C1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)(N+)(=O)(O))OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CC(=O)c1ccc(cc1OC(=O)c1ccc(cc1)(N+)(=O)(O))OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H14N2O9c113(25)19111018(3221(26)142616(7314)23(28)29)1220(19)3322(27)154817(9515)24(30)31h212H1H3
MFCD00316911
ZINC000002774750
ZINC02774750
ZINC2774750

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Available files

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