Vitas-M small molecule compound

5-[(benzylsulfanyl)methyl]-2-methoxybenzoic acid

Catalog ID
STL296602
SMILES COc1ccc(cc1C(=O)O)CSCc1ccccc1

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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 C16H16O3S MW 288.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16O3S/c1-19-15-8-7-13(9-14(15)16(17)18)11-20-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,17,18)
InChIKey
NIYAPGAPUFVRRF-UHFFFAOYSA-N
Synonyms
93434-79-8
5((benzylsulfanyl)methyl)2methoxybenzoicacid
5((benzylthio)methyl)2methoxybenzoicacid
5(BENZYLSULFANYLMETHYL)2METHOXYBENZOICACID
5BENZYLSULFANYLMETHYL2METHOXYBENZOICACID
93434798
COC1=C(C=C(C=C1)CSCC2=CC=CC=C2)C(=O)O
InChI=1SC16H16O3Sc119158713(914(15)16(17)18)112010125324612h29H1011H21H3(H1718)
MFCD01944801
ZINC000000182940
ZINC182940

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Available files

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