Vitas-M small molecule compound
ethyl 2-({(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoate
Catalog ID
STK949953
SMILES CCOC(=O)c1ccccc1NC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])/C#N
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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 C23H17N3O6 MW 431.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O6/c1-2-31-23(28)19-5-3-4-6-20(19)25-22(27)16(14-24)13-18-11-12-21(32-18)15-7-9-17(10-8-15)26(29)30/h3-13H,2H2,1H3,(H,25,27)/b16-13+InChIKey
VODCVSGIRFKTQK-DTQAZKPQSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)(N+)(=O)(O))C#N
CCOC(=O)c1ccccc1NC(=O)C(=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))C#N
ethyl2(((2E)2cyano3(5(4nitrophenyl)furan2yl)prop2enoyl)amino)benzoate
ETHYL2(((E)2CYANO3(5(4NITROPHENYL)FURAN2YL)PROP2ENOYL)AMINO)BENZOATE
ETHYL2((2E)2CYANO3(5(4NITROPHENYL)(2FURYL))PROP2ENOYLAMINO)BENZOATE
InChI=1SC23H17N3O6c123123(28)19534620(19)2522(27)16(1424)1318111221(3218)157917(10815)26(29)30h313H2H21H3(H2527)b1613+
MFCD02354085
ZINC000006149439
ZINC06149439
ZINC6149439
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