Vitas-M small molecule compound

7-(4-fluorophenyl)-2-oxo-1,3-benzoxathiol-5-yl 2-methylbenzoate

Catalog ID
STK908027
SMILES Fc1ccc(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 C21H13FO4S MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13FO4S/c1-12-4-2-3-5-16(12)20(23)25-15-10-17(13-6-8-14(22)9-7-13)19-18(11-15)27-21(24)26-19/h2-11H,1H3
InChIKey
YEVFPWXTTLOYFW-UHFFFAOYSA-N
Synonyms

(7(4fluorophenyl)2oxo13benzoxathiol5yl)2methylbenzoate
7(4fluorophenyl)2oxo13benzoxathiol5yl2methylbenzoate
7(4FLUOROPHENYL)2OXOBENZO(34D)13OXATHIOLAN5YL2METHYLBENZOATE
CC1=CC=CC=C1C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)F)OC(=O)S3
InChI=1SC21H13FO4Sc112423516(12)20(23)25151017(136814(22)9713)1918(1115)2721(24)2619h211H1H3
MFCD06647536
ZINC000006809689
ZINC06809689
ZINC6809689

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.