Vitas-M small molecule compound

5-hydroxy-7-(3-methylphenyl)-1,3-benzoxathiol-2-one

Catalog ID
STL111888
SMILES Oc1cc2sc(=O)oc2c(c1)c1cccc(c1)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 C14H10O3S MW 258.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10O3S/c1-8-3-2-4-9(5-8)11-6-10(15)7-12-13(11)17-14(16)18-12/h2-7,15H,1H3
InChIKey
PWAPRARLWYMFLU-UHFFFAOYSA-N
Synonyms

5hydroxy7(3methylphenyl)13benzoxathiol2one
5HYDROXY7MTOLYLBENZO(13)OXATHIOL2ONE
CC1=CC=CC(=C1)C2=CC(=CC3=C2OC(=O)S3)O
InChI=1SC14H10O3Sc183249(58)11610(15)71213(11)1714(16)1812h2715H1H3
MFCD01540252
ZINC000000180398
ZINC00180398
ZINC180398

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Available files

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