Vitas-M small molecule compound

4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate

Catalog ID
STK701589
SMILES O=C(Oc1ccc2c(c1c1ccc(cc1)Br)sc(=O)o2)COc1ccc(cc1)Cl

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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 C21H12BrClO5S MW 491.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12BrClO5S/c22-13-3-1-12(2-4-13)19-16(9-10-17-20(19)29-21(25)28-17)27-18(24)11-26-15-7-5-14(23)6-8-15/h1-10H,11H2
InChIKey
PEQUYXHTUFTOTI-UHFFFAOYSA-N
Synonyms
372497-48-8
(4(4BROMOPHENYL)2OXO13BENZOXATHIOL5YL)2(4CHLOROPHENOXY)ACETATE
372497488
4(4bromophenyl)2oxo13benzoxathiol5yl(4chlorophenoxy)acetate
4(4bromophenyl)2oxobenzo(d)(13)oxathiol5yl2(4chlorophenoxy)acetate
C1=CC(=CC=C1C2=C(C=CC3=C2SC(=O)O3)OC(=O)COC4=CC=C(C=C4)Cl)Br
InChI=1SC21H12BrClO5Sc22133112(2413)1916(9101720(19)2921(25)2817)2718(24)1126157514(23)6815h110H11H2
MFCD01943210
ZINC000002277012
ZINC02277012
ZINC2277012

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Available files

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