Vitas-M small molecule compound

2-hydroxy-5-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}benzoic acid

Catalog ID
STK412462
SMILES O=C(Nc1ccc(c(c1)C(=O)O)O)/C=C/c1cccc(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 C16H12N2O6 MW 328.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O6/c19-14-6-5-11(9-13(14)16(21)22)17-15(20)7-4-10-2-1-3-12(8-10)18(23)24/h1-9,19H,(H,17,20)(H,21,22)/b7-4+
InChIKey
XAPQNTUJSSGQRJ-QPJJXVBHSA-N
Synonyms

2hydroxy5(((2E)3(3nitrophenyl)prop2enoyl)amino)benzoicacid
2hydroxy5(((E)3(3nitrophenyl)prop2enoyl)amino)benzoicacid
5((2E)3(3NITROPHENYL)PROP2ENOYLAMINO)2HYDROXYBENZOICACID
C1=CC(=CC(=C1)(N+)(=O)(O))C=CC(=O)NC2=CC(=C(C=C2)O)C(=O)O
InChI=1SC16H12N2O6c19146511(913(14)16(21)22)1715(20)741021312(810)18(23)24h1919H(H1720)(H2122)b74+
MFCD00585794
O=C(Nc1ccc(c(c1)C(=O)O)O)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000003194110
ZINC3194110

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Available files

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