Vitas-M small molecule compound

7-(2-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl 4-methoxybenzoate

Catalog ID
STK908780
SMILES COc1ccc(cc1)C(=O)Oc1cc2sc(=O)oc2c(c1)c1ccccc1C

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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 C22H16O5S MW 392.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16O5S/c1-13-5-3-4-6-17(13)18-11-16(12-19-20(18)27-22(24)28-19)26-21(23)14-7-9-15(25-2)10-8-14/h3-12H,1-2H3
InChIKey
ZVZIVWXCBVPDEU-UHFFFAOYSA-N
Synonyms

(7(2methylphenyl)2oxo13benzoxathiol5yl)4methoxybenzoate
7(2methylphenyl)2oxo13benzoxathiol5yl4methoxybenzoate
CC1=CC=CC=C1C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)OC
InChI=1SC22H16O5Sc113534617(13)181116(121920(18)2722(24)2819)2621(23)147915(252)10814h312H12H3
MFCD06648073
ZINC000006809725
ZINC06809725
ZINC6809725

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Available files

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