Vitas-M small molecule compound
7-(3-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-fluorobenzoate
Catalog ID
STK882315
SMILES COc1cccc(c1)c1cc(OC(=O)c2ccccc2F)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 C21H13FO5S MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13FO5S/c1-25-13-6-4-5-12(9-13)16-10-14(11-18-19(16)27-21(24)28-18)26-20(23)15-7-2-3-8-17(15)22/h2-11H,1H3InChIKey
GERVXXRMVAKIKN-UHFFFAOYSA-NSynonyms
(7(3methoxyphenyl)2oxo13benzoxathiol5yl)2fluorobenzoate
7(3methoxyphenyl)2oxo13benzoxathiol5yl2fluorobenzoate
COC1=CC=CC(=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=CC=C4F
InChI=1SC21H13FO5Sc1251364512(913)161014(111819(16)2721(24)2818)2620(23)15723817(15)22h211H1H3
MFCD06646109
ZINC000006809723
ZINC06809723
ZINC6809723
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