Vitas-M small molecule compound
9-{3-bromo-4-[(2-fluorobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198842
SMILES O=C1CCCC2=C1C(c1ccc(c(c1)Br)OCc1ccccc1F)C1=C(O2)CCCC1=O
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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 C26H22BrFO4 MW 497.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrFO4/c27-17-13-15(11-12-21(17)31-14-16-5-1-2-6-18(16)28)24-25-19(29)7-3-9-22(25)32-23-10-4-8-20(30)26(23)24/h1-2,5-6,11-13,24H,3-4,7-10,14H2InChIKey
BKTKJOFKSOKQDJ-UHFFFAOYSA-NSynonyms
9(3bromo4((2fluorobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(3bromo4((2fluorophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=C(C=C4)OCC5=CC=CC=C5F)Br)C(=O)C1
InChI=1SC26H22BrFO4c27171315(111221(17)311416512618(16)28)242519(29)73922(25)3223104820(30)26(23)24h1256111324H3471014H2
MFCD03236281
ZINC000000683779
ZINC00683779
ZINC683779
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