Vitas-M small molecule compound
2,2'-(benzene-1,4-diylbis{[(1E)-3-oxoprop-1-ene-1,3-diyl]benzene-3,1-diylcarbamoyl})dibenzoic acid
Catalog ID
STK296425
SMILES O=C(c1cccc(c1)NC(=O)c1ccccc1C(=O)O)/C=C/c1ccc(cc1)/C=C/C(=O)c1cccc(c1)NC(=O)c1ccccc1C(=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 C40H28N2O8 MW 664.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H28N2O8/c43-35(27-7-5-9-29(23-27)41-37(45)31-11-1-3-13-33(31)39(47)48)21-19-25-15-17-26(18-16-25)20-22-36(44)28-8-6-10-30(24-28)42-38(46)32-12-2-4-14-34(32)40(49)50/h1-24H,(H,41,45)(H,42,46)(H,47,48)(H,49,50)/b21-19+,22-20+InChIKey
QHCGPTHXFDDQRZ-FLFKKZLDSA-NSynonyms
2((3((E)3(4((E)3(3((2carboxybenzoyl)amino)phenyl)3oxoprop1enyl)phenyl)prop2enoyl)phenyl)carbamoyl)benzoicacid
22(benzene14diylbis(((1E)3oxoprop1ene13diyl)benzene31diylcarbamoyl))dibenzoicacid
22(PPHENYLENEBIS((ETHENE12DIYL)CARBONYL(MPHENYLENE)IMINOCARBONYL))BISBENZOICACID
C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)C=CC3=CC=C(C=C3)C=CC(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CC=C5C(=O)O)C(=O)O
InChI=1SC40H28N2O8c4335(2775929(2327)4137(45)3111131333(31)39(47)48)211925151726(181625)202236(44)28861030(2428)4238(46)3212241434(32)40(49)50h124H(H4145)(H4246)(H4748)(H4950)b2119+2220+
MFCD00516813
O=C(c1cccc(c1)NC(=O)c1ccccc1C(=O)O)C=Cc1ccc(cc1)C=CC(=O)c1cccc(c1)NC(=O)c1ccccc1C(=O)O
ZINC000097961973
ZINC97961973
Check stock
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