Vitas-M small molecule compound
4-{[(2E)-2-(acetylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino}benzoic acid
Catalog ID
STK382079
SMILES CC(=O)N/C(=C/c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1ccc(cc1)C(=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 C18H15N3O6 MW 369.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O6/c1-11(22)19-16(10-12-2-8-15(9-3-12)21(26)27)17(23)20-14-6-4-13(5-7-14)18(24)25/h2-10H,1H3,(H,19,22)(H,20,23)(H,24,25)/b16-10+InChIKey
QUBMIOIRDKZMAE-MHWRWJLKSA-NSynonyms
4(((2E)2(acetylamino)3(4nitrophenyl)prop2enoyl)amino)benzoicacid
4(((E)2ACETAMIDO3(4NITROPHENYL)PROP2ENOYL)AMINO)BENZOICACID
4((2E)2(ACETYLAMINO)3(4NITROPHENYL)PROP2ENOYLAMINO)BENZOICACID
CC(=O)NC(=CC1=CC=C(C=C1)(N+)(=O)(O))C(=O)NC2=CC=C(C=C2)C(=O)O
CC(=O)NC(=Cc1ccc(cc1)(N+)(=O)(O))C(=O)Nc1ccc(cc1)C(=O)O
InChI=1SC18H15N3O6c111(22)1916(10122815(9312)21(26)27)17(23)20146413(5714)18(24)25h210H1H3(H1922)(H2023)(H2425)b1610+
MFCD03037109
ZINC000001138553
ZINC1138553
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