Vitas-M small molecule compound
2,6-bis{2-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}-4-(phenylcarbonyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
Catalog ID
STK670982
SMILES O=C1OC(=O)c2c1cc(cc2)Oc1ccccc1n1c(=O)c2c(c1=O)c(C(=O)c1ccccc1)c1c(c2)c(=O)n(c1=O)c1ccccc1Oc1ccc2c(c1)C(=O)OC2=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 C45H20N2O13 MW 796.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H20N2O13/c48-37(21-8-2-1-3-9-21)36-34-28(38(49)46(40(34)51)30-10-4-6-12-32(30)57-22-14-16-24-26(18-22)44(55)59-42(24)53)20-29-35(36)41(52)47(39(29)50)31-11-5-7-13-33(31)58-23-15-17-25-27(19-23)45(56)60-43(25)54/h1-20HInChIKey
IFKAKPQFTZQQGG-UHFFFAOYSA-NSynonyms
26bis(2((13dioxo13dihydro2benzofuran5yl)oxy)phenyl)4(phenylcarbonyl)pyrrolo(34f)isoindole1357(2H6H)tetrone
8benzoyl26bis(2((13dioxo2benzofuran5yl)oxy)phenyl)pyrrolo(34f)isoindole1357tetrone
C1=CC=C(C=C1)C(=O)C2=C3C(=CC4=C2C(=O)N(C4=O)C5=CC=CC=C5OC6=CC7=C(C=C6)C(=O)OC7=O)C(=O)N(C3=O)C8=CC=CC=C8OC9=CC1=C(C=C9)C(=O)OC1=O
InChI=1SC45H20N2O13c4837(218213921)363428(38(49)46(40(34)51)3010461232(30)572214162426(1822)44(55)5942(24)53)202935(36)41(52)47(39(29)50)3111571333(31)582315172527(1923)45(56)6043(25)54h120H
MFCD00634715
ZINC000098001509
ZINC98001509
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