Vitas-M small molecule compound

5-[4-carboxy-3-({3-[4-(octadecanoylamino)phenyl]-3-oxopropanoyl}amino)phenoxy]benzene-1,3-dicarboxylic acid

Catalog ID
STL512467
SMILES CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)CC(=O)Nc1cc(ccc1C(=O)O)Oc1cc(cc(c1)C(=O)O)C(=O)O

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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 C42H52N2O10 MW 744.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H52N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-38(46)43-32-20-18-29(19-21-32)37(45)28-39(47)44-36-27-33(22-23-35(36)42(52)53)54-34-25-30(40(48)49)24-31(26-34)41(50)51/h18-27H,2-17,28H2,1H3,(H,43,46)(H,44,47)(H,48,49)(H,50,51)(H,52,53)
InChIKey
FJGPDGQXRAXQJH-UHFFFAOYSA-N
Synonyms

3288880
374705198
5(4carboxy3((3(4(octadecanoylamino)phenyl)3oxopropanoyl)amino)phenoxy)benzene13dicarboxylicacid
5(4carboxy3(3oxo3(4stearamidophenyl)propanamido)phenoxy)isophthalicacid
InChI=1SC42H52N2O10c123456789101112131415161738(46)4332201829(192132)37(45)2839(47)44362733(222335(36)42(52)53)54342530(40(48)49)2431(2634)41(50)51h1827H21728H21H3(H4346)(H4447)(H4849)(H5051)(H5253)
MFCD01082853
ZINC000085867408
ZINC85867408

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Available files

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