Vitas-M small molecule compound

5-{[(4-nitrophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid

Catalog ID
STK299486
SMILES O=C(Nc1cc(cc(c1)C(=O)O)C(=O)O)COc1ccc(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 C16H12N2O8 MW 360.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O8/c19-14(8-26-13-3-1-12(2-4-13)18(24)25)17-11-6-9(15(20)21)5-10(7-11)16(22)23/h1-7H,8H2,(H,17,19)(H,20,21)(H,22,23)
InChIKey
VARRAWOWMGIGIF-UHFFFAOYSA-N
Synonyms

5(((4nitrophenoxy)acetyl)amino)benzene13dicarboxylicacid
5(((4NITROPHENOXY)ACETYL)AMINO)ISOPHTHALICACID
5((2(4NITROPHENOXY)ACETYL)AMINO)BENZENE13DICARBOXYLICACID
C1=CC(=CC=C1(N+)(=O)(O))OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O
InChI=1SC16H12N2O8c1914(826133112(2413)18(24)25)171169(15(20)21)510(711)16(22)23h17H8H2(H1719)(H2021)(H2223)
MFCD02032091
O=C(Nc1cc(cc(c1)C(=O)O)C(=O)O)COc1ccc(cc1)(N+)(=O)(O)
ZINC000002948696
ZINC2948696

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Available files

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