Vitas-M small molecule compound

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

Catalog ID
STK267611
SMILES CCCCOC(=O)c1ccccc1N1C(=O)c2c(C1=O)cc(cc2)C(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccccc1C(=O)OCCCC

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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 C39H32N2O9 MW 672.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H32N2O9/c1-3-5-19-49-38(47)27-11-7-9-13-31(27)40-34(43)25-17-15-23(21-29(25)36(40)45)33(42)24-16-18-26-30(22-24)37(46)41(35(26)44)32-14-10-8-12-28(32)39(48)50-20-6-4-2/h7-18,21-22H,3-6,19-20H2,1-2H3
InChIKey
WDEOHPGRUACMFQ-UHFFFAOYSA-N
Synonyms

BUTYL2(5((2(2(BUTOXYCARBONYL)PHENYL)13DIOXOBENZO(C)AZOLIDIN5YL)CARBONYL)13DIOXOBENZO(C)AZOLIDIN2YL)BENZOATE
BUTYL2(5(2(2BUTOXYCARBONYLPHENYL)13DIOXOISOINDOLE5CARBONYL)13DIOXOISOINDOL2YL)BENZOATE
CCCCOC(=O)C1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=CC=C6C(=O)OCCCC
dibutyl22(carbonylbis(13dioxo13dihydro2Hisoindole52diyl))dibenzoate
InChI=1SC39H32N2O9c135194938(47)2711791331(27)4034(43)25171523(2129(25)36(40)45)33(42)2416182630(2224)37(46)41(35(26)44)32141081228(32)39(48)5020642h7182122H361920H212H3
MFCD00301777
ZINC000004017267
ZINC4017267

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.