Vitas-M small molecule compound
4-chloro-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}benzoic acid
Catalog ID
STK156552
SMILES O=C(Nc1cc(Cl)ccc1C(=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 C16H11ClN2O5 MW 346.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN2O5/c17-11-5-6-13(16(21)22)14(9-11)18-15(20)7-4-10-2-1-3-12(8-10)19(23)24/h1-9H,(H,18,20)(H,21,22)/b7-4+InChIKey
XDAKLGNYEHVCBW-QPJJXVBHSA-NSynonyms
4CHLORO2(((2E)3(3NITROPHENYL)PROP2ENOYL)AMINO)BENZOICACID
4CHLORO2(((E)3(3NITROPHENYL)PROP2ENOYL)AMINO)BENZOICACID
C1=CC(=CC(=C1)(N+)(=O)(O))C=CC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O
InChI=1SC16H11ClN2O5c17115613(16(21)22)14(911)1815(20)741021312(810)19(23)24h19H(H1820)(H2122)b74+
MFCD02017921
O=C(Nc1cc(Cl)ccc1C(=O)O)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000004695747
ZINC4695747
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