Vitas-M small molecule compound
diheptyl 4,4'-(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dibenzoate
Catalog ID
STK270212
SMILES CCCCCCCOC(=O)c1ccc(cc1)n1c(=O)c2c(c1=O)cc1c(c2)c(=O)n(c1=O)c1ccc(cc1)C(=O)OCCCCCCC
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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 C38H40N2O8 MW 652.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H40N2O8/c1-3-5-7-9-11-21-47-37(45)25-13-17-27(18-14-25)39-33(41)29-23-31-32(24-30(29)34(39)42)36(44)40(35(31)43)28-19-15-26(16-20-28)38(46)48-22-12-10-8-6-4-2/h13-20,23-24H,3-12,21-22H2,1-2H3InChIKey
DKHKISQXRRJLJX-UHFFFAOYSA-NSynonyms
CCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)C5=CC=C(C=C5)C(=O)OCCCCCCC
diheptyl44(1357tetraoxo57dihydropyrrolo(34f)isoindole26(1H3H)diyl)dibenzoate
heptyl4(2(4heptoxycarbonylphenyl)1357tetraoxopyrrolo(34f)isoindol6yl)benzoate
InChI=1SC38H40N2O8c1357911214737(45)25131727(181425)3933(41)29233132(2430(29)34(39)42)36(44)40(35(31)43)28191526(162028)38(46)482212108642h13202324H3122122H212H3
MFCD00591568
ZINC000097949152
ZINC97949152
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