Vitas-M small molecule compound
7-(4-fluorophenyl)-2-oxo-1,3-benzoxathiol-5-yl 4-methylbenzoate
Catalog ID
STK883360
SMILES Cc1ccc(cc1)C(=O)Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)F
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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/c1-12-2-4-14(5-3-12)20(23)25-16-10-17(13-6-8-15(22)9-7-13)19-18(11-16)27-21(24)26-19/h2-11H,1H3InChIKey
PTJHDPDKRAFFTA-UHFFFAOYSA-NSynonyms
(7(4fluorophenyl)2oxo13benzoxathiol5yl)4methylbenzoate
7(4fluorophenyl)2oxo13benzoxathiol5yl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)F)OC(=O)S3
InChI=1SC21H13FO4Sc1122414(5312)20(23)25161017(136815(22)9713)1918(1116)2721(24)2619h211H1H3
MFCD06646839
ZINC000006809687
ZINC06809687
ZINC6809687
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