Vitas-M small molecule compound
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}benzoic acid
Catalog ID
STL264841
SMILES Cc1ccc(c(c1)C)C(=O)CSc1ccccc1C(=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 C17H16O3S MW 300.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16O3S/c1-11-7-8-13(12(2)9-11)15(18)10-21-16-6-4-3-5-14(16)17(19)20/h3-9H,10H2,1-2H3,(H,19,20)InChIKey
WZUUQBIWZHAHJM-UHFFFAOYSA-NSynonyms
2((2(24dimethylphenyl)2oxoethyl)sulfanyl)benzoicacid
2(2(24DIMETHYLPHENYL)2OXOETHYL)SULFANYLBENZOICACID
2(2(24DIMETHYLPHENYL)2OXOETHYLTHIO)BENZOICACID
CC1=CC(=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O)C
InChI=1SC17H16O3Sc1117813(12(2)911)15(18)102116643514(16)17(19)20h39H10H212H3(H1920)
MFCD02927373
ZINC000000240052
ZINC240052
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