Vitas-M small molecule compound
5,5'-[benzene-1,3-diylbis(oxy)]bis[2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-1H-isoindole-1,3(2H)-dione]
Catalog ID
STK295932
SMILES O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)/C=C/C(=O)c1ccccc1)Oc1cccc(c1)Oc1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)/C=C/C(=O)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 C52H32N2O8 MW 812.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H32N2O8/c55-47(35-8-3-1-4-9-35)28-18-33-14-20-37(21-15-33)53-49(57)43-26-24-41(31-45(43)51(53)59)61-39-12-7-13-40(30-39)62-42-25-27-44-46(32-42)52(60)54(50(44)58)38-22-16-34(17-23-38)19-29-48(56)36-10-5-2-6-11-36/h1-32H/b28-18+,29-19+InChIKey
UOERDYDEZLEJGC-UOSOPFLXSA-NSynonyms
2(4((1E)3OXO3PHENYLPROP1ENYL)PHENYL)5(3(2(4((1E)3OXO3PHENYLPROP1ENYL)PHENYL)13DIOXOBENZO(C)AZOLIN5YLOXY)PHENOXY)BENZO(C)AZOLINE13DIONE
5(3(13dioxo2(4((E)3oxo3phenylprop1enyl)phenyl)isoindol5yl)oxyphenoxy)2(4((E)3oxo3phenylprop1enyl)phenyl)isoindole13dione
55(benzene13diylbis(oxy))bis(2(4((1E)3oxo3phenylprop1en1yl)phenyl)1Hisoindole13(2H)dione)
C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC(=CC=C5)OC6=CC7=C(C=C6)C(=O)N(C7=O)C8=CC=C(C=C8)C=CC(=O)C9=CC=CC=C9
InChI=1SC52H32N2O8c5547(358314935)281833142037(211533)5349(57)43262441(3145(43)51(53)59)61391271340(3039)624225274446(3242)52(60)54(50(44)58)38221634(172338)192948(56)36105261136h132Hb2818+2919+
MFCD00303879
O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)C=CC(=O)c1ccccc1)Oc1cccc(c1)Oc1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)C=CC(=O)c1ccccc1
ZINC000150413405
ZINC150413405
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