Vitas-M small molecule compound

3,5-bis({[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)benzoic acid

Catalog ID
STK100437
SMILES COc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)Nc1cc(cc(c1)C(=O)O)NC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)OC

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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 C39H26N4O10 MW 710.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H26N4O10/c1-52-27-9-5-25(6-10-27)42-35(46)29-13-3-20(17-31(29)37(42)48)33(44)40-23-15-22(39(50)51)16-24(19-23)41-34(45)21-4-14-30-32(18-21)38(49)43(36(30)47)26-7-11-28(53-2)12-8-26/h3-19H,1-2H3,(H,40,44)(H,41,45)(H,50,51)
InChIKey
RYEREWBFBPJVGH-UHFFFAOYSA-N
Synonyms

35BIS(((2(4METHOXYPHENYL)13DIOXO23DIHYDRO1HISOINDOL5YL)CARBONYL)AMINO)BENZOICACID
35BIS((2(4METHOXYPHENYL)13DIOXOISOINDOLE5CARBONYL)AMINO)BENZOICACID
COC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC(=C4)C(=O)O)NC(=O)C5=CC6=C(C=C5)C(=O)N(C6=O)C7=CC=C(C=C7)OC
InChI=1SC39H26N4O10c152279525(61027)4235(46)2913320(1731(29)37(42)48)33(44)40231522(39(50)51)1624(1923)4134(45)214143032(1821)38(49)43(36(30)47)2671128(532)12826h319H12H3(H4044)(H4145)(H5051)
MFCD00304532
ZINC000098043417
ZINC98043417

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Available files

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