Vitas-M small molecule compound
4,4'-[(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)bis(benzene-4,1-diyloxy)]dibenzene-1,2-dicarbonitrile
Catalog ID
STK366522
SMILES N#Cc1cc(ccc1C#N)Oc1ccc(cc1)n1c(=O)c2c(c1=O)cc1c(c2)c(=O)n(c1=O)c1ccc(cc1)Oc1ccc(c(c1)C#N)C#N
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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 C38H16N6O6 MW 652.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H16N6O6/c39-17-21-1-7-29(13-23(21)19-41)49-27-9-3-25(4-10-27)43-35(45)31-15-33-34(16-32(31)36(43)46)38(48)44(37(33)47)26-5-11-28(12-6-26)50-30-8-2-22(18-40)24(14-30)20-42/h1-16HInChIKey
GQVIDSFYVQSAGB-UHFFFAOYSA-NSynonyms
4(4(2(4(34dicyanophenoxy)phenyl)1357tetraoxopyrrolo(34f)isoindol6yl)phenoxy)benzene12dicarbonitrile
44((1357tetraoxo57dihydropyrrolo(34f)isoindole26(1H3H)diyl)bis(benzene41diyloxy))dibenzene12dicarbonitrile
C1=CC(=CC=C1N2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)C5=CC=C(C=C5)OC6=CC(=C(C=C6)C#N)C#N)OC7=CC(=C(C=C7)C#N)C#N
InChI=1SC38H16N6O6c3917211729(1323(21)1941)49279325(41027)4335(45)31153334(1632(31)36(43)46)38(48)44(37(33)47)2651128(12626)50308222(1840)24(1430)2042h116H
MFCD00308374
ZINC000004015299
ZINC4015299
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