Vitas-M small molecule compound

5-{[(3-chloro-4-methylphenyl)sulfonyl]methyl}furan-2-carboxylic acid

Catalog ID
STK880334
SMILES OC(=O)c1ccc(o1)CS(=O)(=O)c1ccc(c(c1)Cl)C

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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 C13H11ClO5S MW 314.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11ClO5S/c1-8-2-4-10(6-11(8)14)20(17,18)7-9-3-5-12(19-9)13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKey
KBIWIBLJQBKEAX-UHFFFAOYSA-N
Synonyms

5(((3CHLORO4METHYLPHENYL)SULFONYL)METHYL)2FUROICACID
5(((3chloro4methylphenyl)sulfonyl)methyl)furan2carboxylicacid
5((3chloro4methylphenyl)sulfonylmethyl)furan2carboxylicacid
5(3CHLORO4METHYLBENZENESULFONYLMETHYL)FURAN2CARBOXYLICACID
CC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)O)Cl
InChI=1SC13H11ClO5Sc182410(611(8)14)20(1718)793512(199)13(15)16h26H7H21H3(H1516)
MFCD14703543
ZINC000040478880
ZINC40478880

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Available files

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