Vitas-M small molecule compound
7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-methylbenzoate
Catalog ID
STK516245
SMILES COc1ccc(cc1)c1cc(OC(=O)c2ccccc2C)cc2c1oc(=O)s2
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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)21(23)26-16-11-18(14-7-9-15(25-2)10-8-14)20-19(12-16)28-22(24)27-20/h3-12H,1-2H3InChIKey
ZZHTWFZJZYZVPJ-UHFFFAOYSA-NSynonyms
(7(4methoxyphenyl)2oxo13benzoxathiol5yl)2methylbenzoate
7(4methoxyphenyl)2oxo13benzoxathiol5yl2methylbenzoate
CC1=CC=CC=C1C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)OC)OC(=O)S3
InChI=1SC22H16O5Sc113534617(13)21(23)26161118(147915(252)10814)2019(1216)2822(24)2720h312H12H3
MFCD06645569
ZINC000006809675
ZINC06809675
ZINC6809675
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