Vitas-M small molecule compound
7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl 4-fluorobenzoate
Catalog ID
STK516158
SMILES Cc1ccc(cc1)c1cc(OC(=O)c2ccc(cc2)F)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 C21H13FO4S MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13FO4S/c1-12-2-4-13(5-3-12)17-10-16(11-18-19(17)26-21(24)27-18)25-20(23)14-6-8-15(22)9-7-14/h2-11H,1H3InChIKey
XSKYTJYPEFCWGZ-UHFFFAOYSA-NSynonyms
(7(4methylphenyl)2oxo13benzoxathiol5yl)4fluorobenzoate
7(4methylphenyl)2oxo13benzoxathiol5yl4fluorobenzoate
CC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)F
InChI=1SC21H13FO4Sc1122413(5312)171016(111819(17)2621(24)2718)2520(23)146815(22)9714h211H1H3
MFCD06645543
ZINC000006809665
ZINC06809665
ZINC6809665
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