Vitas-M small molecule compound

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

Catalog ID
STK880345
SMILES OC(=O)c1ccc(o1)CS(=O)(=O)c1ccc(c(c1)C)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 C14H14O5S MW 294.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14O5S/c1-9-3-5-12(7-10(9)2)20(17,18)8-11-4-6-13(19-11)14(15)16/h3-7H,8H2,1-2H3,(H,15,16)
InChIKey
ZLDSQOXYHUJDHI-UHFFFAOYSA-N
Synonyms
1152517-21-9
1152517219
5(((34DIMETHYLPHENYL)SULFONYL)METHYL)2FUROICACID
5(((34dimethylphenyl)sulfonyl)methyl)furan2carboxylicacid
5((34dimethylphenyl)sulfonylmethyl)furan2carboxylicacid
5(34DIMETHYLBENZENESULFONYLMETHYL)FURAN2CARBOXYLICACID
CC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)O)C
InChI=1SC14H14O5Sc193512(710(9)2)20(1718)8114613(1911)14(15)16h37H8H212H3(H1516)
MFCD10691726
ZINC000034956469
ZINC34956469

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Available files

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