Vitas-M small molecule compound
7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl 3-methylbenzoate
Catalog ID
STK516156
SMILES Cc1ccc(cc1)c1cc(OC(=O)c2cccc(c2)C)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 C22H16O4S MW 376.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16O4S/c1-13-6-8-15(9-7-13)18-11-17(12-19-20(18)26-22(24)27-19)25-21(23)16-5-3-4-14(2)10-16/h3-12H,1-2H3InChIKey
MHIJFEACZSMZPA-UHFFFAOYSA-NSynonyms
(7(4methylphenyl)2oxo13benzoxathiol5yl)3methylbenzoate
7(4methylphenyl)2oxo13benzoxathiol5yl3methylbenzoate
CC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC(=CC=C4)C
InChI=1SC22H16O4Sc1136815(9713)181117(121920(18)2622(24)2719)2521(23)1653414(2)1016h312H12H3
MFCD06651133
ZINC000006809661
ZINC06809661
ZINC6809661
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