Vitas-M small molecule compound

2-methoxy-4-(methylsulfanyl)benzoic acid

Catalog ID
STK374496
SMILES COc1cc(SC)ccc1C(=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 C9H10O3S MW 198.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H10O3S/c1-12-8-5-6(13-2)3-4-7(8)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey
UOPCPHJGGRTYNC-UHFFFAOYSA-N
Synonyms
72856-73-6
2methoxy4(methylsulfanyl)benzoicacid
2METHOXY4(METHYLTHIO)BENZOICACID
2METHOXY4(METHYLTHIO)BENZOICACID96
2METHOXY4BENZOICACID96
2METHOXY4METHYLMERCAPTOBENZOICACID
2METHOXY4METHYLSULFANYLBENZOICACID
2METHOXY4METHYLTHIOBENZOICACID
4(METHYLTHIO)OANISICACID
72856736
BENZOICACID2METHOXY4(METHYLTHIO)
COC1=C(C=CC(=C1)SC)C(=O)O
InChI=1SC9H10O3Sc112856(132)347(8)9(10)11h35H12H3(H1011)
MFCD00010211
ZINC000002166978
ZINC2166978

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Available files

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