Vitas-M small molecule compound

5-({[4-chloro-3-({3-[2-(octadecyloxy)phenyl]-3-oxopropanoyl}amino)phenyl]sulfonyl}amino)benzene-1,3-dicarboxylic acid

Catalog ID
STK366115
SMILES CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc1cc(ccc1Cl)S(=O)(=O)Nc1cc(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 C41H53ClN2O9S MW 785.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H53ClN2O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-53-38-21-18-17-20-34(38)37(45)29-39(46)43-36-28-33(22-23-35(36)42)54(51,52)44-32-26-30(40(47)48)25-31(27-32)41(49)50/h17-18,20-23,25-28,44H,2-16,19,24,29H2,1H3,(H,43,46)(H,47,48)(H,49,50
InChIKey
REKKSJAUNZHFPZ-UHFFFAOYSA-N
Synonyms

5(((4chloro3((3(2(octadecyloxy)phenyl)3oxopropanoyl)amino)phenyl)sulfonyl)amino)benzene13dicarboxylicacid
5(((4CHLORO3(3(2OCTADECYLOXYPHENYL)3OXOPROPANOYLAMINO)PHENYL)SULFONYL)AMINO)BENZENE13DICARBOXYLICACID
5((4CHLORO3((3(2OCTADECOXYPHENYL)3OXOPROPANOYL)AMINO)PHENYL)SULFONYLAMINO)BENZENE13DICARBOXYLICACID
5(4chloro3(3(2(octadecyloxy)phenyl)3oxopropanamido)phenylsulfonamido)isophthalicacid
CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)Cl
InChI=1SC41H53ClN2O9Sc12345678910111213141516192453382118172034(38)37(45)2939(46)43362833(222335(36)42)54(5152)44322630(40(47)48)2531(2732)41(49)50h17182023252844H216192429H21H3(H4346)(H4748)(H4950)
MFCD00308223
ZINC000150390437
ZINC150390437

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Available files

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