Vitas-M small molecule compound
4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (2-fluorophenoxy)acetate
Catalog ID
STK534002
SMILES O=C(Oc1ccc2c(c1c1ccc(cc1)Br)sc(=O)o2)COc1ccccc1F
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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 C21H12BrFO5S MW 475.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12BrFO5S/c22-13-7-5-12(6-8-13)19-16(9-10-17-20(19)29-21(25)28-17)27-18(24)11-26-15-4-2-1-3-14(15)23/h1-10H,11H2InChIKey
GJXKUTCXQCOMOS-UHFFFAOYSA-NSynonyms
374548-81-9(4(4BROMOPHENYL)2OXO13BENZOXATHIOL5YL)2(2FLUOROPHENOXY)ACETATE
374548819
4(4bromophenyl)2oxo13benzoxathiol5yl(2fluorophenoxy)acetate
4(4bromophenyl)2oxobenzo(d)(13)oxathiol5yl2(2fluorophenoxy)acetate
C1=CC=C(C(=C1)OCC(=O)OC2=C(C3=C(C=C2)OC(=O)S3)C4=CC=C(C=C4)Br)F
InChI=1SC21H12BrFO5Sc22137512(6813)1916(9101720(19)2921(25)2817)2718(24)112615421314(15)23h110H11H2
MFCD01957138
ZINC000009339703
ZINC09339703
ZINC9339703
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