Vitas-M small molecule compound

diheptyl 4,4'-[carbonylbis(1,3-dioxo-1,3-dihydro-2H-isoindole-5,2-diyl)]dibenzoate

Catalog ID
STK267635
SMILES CCCCCCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)c1ccc2c(c1)C(=O)N(C2=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 C45H44N2O9 MW 756.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H44N2O9/c1-3-5-7-9-11-25-55-44(53)29-13-19-33(20-14-29)46-40(49)35-23-17-31(27-37(35)42(46)51)39(48)32-18-24-36-38(28-32)43(52)47(41(36)50)34-21-15-30(16-22-34)45(54)56-26-12-10-8-6-4-2/h13-24,27-28H,3-12,25-26H2,1-2H3
InChIKey
CTFVNJCASHPIBE-UHFFFAOYSA-N
Synonyms

CCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)OCCCCCCC
diheptyl44(carbonylbis(13dioxo13dihydro2Hisoindole52diyl))dibenzoate
HEPTYL4(5((2(4(HEPTYLOXYCARBONYL)PHENYL)13DIOXOBENZO(C)AZOLIDIN5YL)CARBONYL)13DIOXOBENZO(C)AZOLIDIN2YL)BENZOATE
HEPTYL4(5(2(4HEPTOXYCARBONYLPHENYL)13DIOXOISOINDOLE5CARBONYL)13DIOXOISOINDOL2YL)BENZOATE
InChI=1SC45H44N2O9c1357911255544(53)29131933(201429)4640(49)35231731(2737(35)42(46)51)39(48)3218243638(2832)43(52)47(41(36)50)34211530(162234)45(54)562612108642h13242728H3122526H212H3
MFCD00301783
ZINC000095607855
ZINC95607855

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Available files

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