Vitas-M small molecule compound
5-{[(3-nitrophenoxy)acetyl]amino}benzene-1,3-dicarboxylic acid
Catalog ID
STK299487
SMILES O=C(Nc1cc(cc(c1)C(=O)O)C(=O)O)COc1cccc(c1)[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(8-26-13-3-1-2-12(7-13)18(24)25)17-11-5-9(15(20)21)4-10(6-11)16(22)23/h1-7H,8H2,(H,17,19)(H,20,21)(H,22,23)InChIKey
ICJMFCMGFRZFMN-UHFFFAOYSA-NSynonyms
5(((3nitrophenoxy)acetyl)amino)benzene13dicarboxylicacid
5((2(3NITROPHENOXY)ACETYL)AMINO)BENZENE13DICARBOXYLICACID
C1=CC(=CC(=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)(N+)(=O)(O)
InChI=1SC16H12N2O8c1914(8261331212(713)18(24)25)171159(15(20)21)410(611)16(22)23h17H8H2(H1719)(H2021)(H2223)
MFCD02032092
O=C(Nc1cc(cc(c1)C(=O)O)C(=O)O)COc1cccc(c1)(N+)(=O)(O)
ZINC000002949343
ZINC2949343
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