Vitas-M small molecule compound

4,4'-sulfonylbis(5-chlorocyclohexane-1,2-dicarboxylic acid)

Catalog ID
STK359206
SMILES ClC1CC(C(=O)O)C(CC1S(=O)(=O)C1CC(C(=O)O)C(CC1Cl)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 C16H20Cl2O10S MW 475.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20Cl2O10S/c17-9-1-5(13(19)20)7(15(23)24)3-11(9)29(27,28)12-4-8(16(25)26)6(14(21)22)2-10(12)18/h5-12H,1-4H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKey
DERAMYORCBINPK-UHFFFAOYSA-N
Synonyms

44sulfonylbis(5chlorocyclohexane12dicarboxylicacid)
4chloro5(45dicarboxy2chlorocyclohexyl)sulfonylcyclohexane12dicarboxylicacid
C1C(C(CC(C1S(=O)(=O)C2CC(C(CC2Cl)C(=O)O)C(=O)O)Cl)C(=O)O)C(=O)O
InChI=1SC16H20Cl2O10Sc17915(13(19)20)7(15(23)24)311(9)29(2728)1248(16(25)26)6(14(21)22)210(12)18h512H14H2(H1920)(H2122)(H2324)(H2526)
MFCD10487647
ZINC000102084502
ZINC000239038439

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Available files

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