Vitas-M small molecule compound
7-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-fluorophenoxy)acetate
Catalog ID
STK516428
SMILES O=C(Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)Br)COc1ccc(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 C21H12BrFO5S MW 475.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12BrFO5S/c22-13-3-1-12(2-4-13)17-9-16(10-18-20(17)28-21(25)29-18)27-19(24)11-26-15-7-5-14(23)6-8-15/h1-10H,11H2InChIKey
QWYLOWKZCMQEEE-UHFFFAOYSA-NSynonyms
(7(4bromophenyl)2oxo13benzoxathiol5yl)2(4fluorophenoxy)acetate
7(4bromophenyl)2oxo13benzoxathiol5yl(4fluorophenoxy)acetate
C1=CC(=CC=C1C2=CC(=CC3=C2OC(=O)S3)OC(=O)COC4=CC=C(C=C4)F)Br
InChI=1SC21H12BrFO5Sc22133112(2413)17916(101820(17)2821(25)2918)2719(24)1126157514(23)6815h110H11H2
MFCD06645653
ZINC000016742317
ZINC16742317
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