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4-[(1,3,5,7-tetraoxo-2,6-bis{3-[(2E)-3-phenylprop-2-enoyl]phenyl}-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindol-4-yl)carbonyl]benzoic acid

Catalog ID
STK156650
SMILES OC(=O)c1ccc(cc1)C(=O)c1c2c(=O)n(c(=O)c2cc2c1c(=O)n(c2=O)c1cccc(c1)C(=O)/C=C/c1ccccc1)c1cccc(c1)C(=O)/C=C/c1ccccc1

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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 C48H28N2O9 MW 776.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H28N2O9/c51-38(23-17-28-9-3-1-4-10-28)32-13-7-15-34(25-32)49-44(54)36-27-37-41(42(40(36)46(49)56)43(53)30-19-21-31(22-20-30)48(58)59)47(57)50(45(37)55)35-16-8-14-33(26-35)39(52)24-18-29-11-5-2-6-12-29/h1-27H,(H,58,59)/b23-17+,24-18+
InChIKey
LPOGXZXMCHPKQA-GJHDBBOXSA-N
Synonyms

4((1357tetraoxo26bis(3((2E)3phenylprop2enoyl)phenyl)123567hexahydropyrrolo(34f)isoindol4yl)carbonyl)benzoicacid
4(1357tetraoxo26bis(3((E)3phenylprop2enoyl)phenyl)pyrrolo(34f)isoindole8carbonyl)benzoicacid
C1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC5=C(C(=C4C3=O)C(=O)C6=CC=C(C=C6)C(=O)O)C(=O)N(C5=O)C7=CC=CC(=C7)C(=O)C=CC8=CC=CC=C8
InChI=1SC48H28N2O9c5138(23172893141028)321371534(2532)4944(54)36273741(42(40(36)46(49)56)43(53)30192131(222030)48(58)59)47(57)50(45(37)55)351681433(2635)39(52)241829115261229h127H(H5859)b2317+2418+
MFCD00304040
OC(=O)c1ccc(cc1)C(=O)c1c2c(=O)n(c(=O)c2cc2c1c(=O)n(c2=O)c1cccc(c1)C(=O)C=Cc1ccccc1)c1cccc(c1)C(=O)C=Cc1ccccc1
ZINC000150416306
ZINC150416306

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Available files

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