Vitas-M small molecule compound

dibutyl 4,4'-[(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)dicarbamoyl]dibenzoate

Catalog ID
STK083916
SMILES CCCCOC(=O)c1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)c1ccc(cc1)C(=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 C38H34N2O8 MW 646.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H34N2O8/c1-3-5-21-47-37(45)25-15-11-23(12-16-25)35(43)39-29-19-20-30(32-31(29)33(41)27-9-7-8-10-28(27)34(32)42)40-36(44)24-13-17-26(18-14-24)38(46)48-22-6-4-2/h7-20H,3-6,21-22H2,1-2H3,(H,39,43)(H,40,44)
InChIKey
PZXDZRDSSHLSDM-UHFFFAOYSA-N
Synonyms

BUTYL4((4((4BUTOXYCARBONYLBENZOYL)AMINO)910DIOXOANTHRACEN1YL)CARBAMOYL)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC(=O)C4=CC=C(C=C4)C(=O)OCCCC)C(=O)C5=CC=CC=C5C3=O
CCCCOC(=O)c1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)c1ccc(cc1)C(=O)OCCCC
DIBUTYL44((910DIOXO910DIHYDROANTHRACENE14DIYL)DICARBAMOYL)DIBENZOATE
InChI=1SC38H34N2O8c135214737(45)25151123(121625)35(43)3929192030(3231(29)33(41)279781028(27)34(32)42)4036(44)24131726(181424)38(46)4822642h720H362122H212H3(H3943)(H4044)
MFCD00301700
STK083916
ZINC000098045122
ZINC98045122

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Available files

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