Vitas-M small molecule compound
2,2'-[(10-oxo-9,10-dihydroanthracene-9,9-diyl)dibenzene-4,1-diyl]bis[5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione]
Catalog ID
STK156728
SMILES O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)C1(c2ccc(cc2)N2C(=O)c3c(C2=O)cc(cc3)c2nc3ccccc3c(=O)o2)c2ccccc2C(=O)c2c1cccc2)c1nc2ccccc2c(=O)o1
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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 C58H30N4O9 MW 926.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C58H30N4O9/c63-49-39-9-1-5-13-45(39)58(46-14-6-2-10-40(46)49,33-19-23-35(24-20-33)61-52(64)37-27-17-31(29-43(37)54(61)66)50-59-47-15-7-3-11-41(47)56(68)70-50)34-21-25-36(26-22-34)62-53(65)38-28-18-32(30-44(38)55(62)67)51-60-48-16-8-4-12-42(48)57(InChIKey
WEGFLEPELOBLRF-UHFFFAOYSA-NSynonyms
2(4(9(4(13dioxo5(4oxo31benzoxazin2yl)isoindol2yl)phenyl)10oxoanthracen9yl)phenyl)5(4oxo31benzoxazin2yl)isoindole13dione
2(4(9(4(13DIOXO5(4OXOBENZO(D)13OXAZIN2YL)BENZO(C)AZOLIN2YL)PHENYL)10OXO(99HYDROANTHRYL))PHENYL)5(4OXOBENZO(D)13OXAZIN2YL)BENZO(C)AZOLINE13DIONE
22((10OXO910DIHYDROANTHRACENE99DIYL)DIBENZENE41DIYL)BIS(5(4OXO4H31BENZOXAZIN2YL)1HISOINDOLE13(2H)DIONE)
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(C4=CC=C(C=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)C7=NC8=CC=CC=C8C(=O)O7)C9=CC=C(C=C9)N1C(=O)C2=C(C1=O)C=C(C=C2)C1=NC2=CC=CC=C2C(=O)O1
InChI=1SC58H30N4O9c6349399151345(39)58(4614621040(46)4933192335(242033)6152(64)37271731(2943(37)54(61)66)50594715731141(47)56(68)7050)34212536(262234)6253(65)38281832(3044(38)55(62)67)51604816841242(48)57(69)7151h130H
MFCD01159527
ZINC000150356335
ZINC150356335
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