Vitas-M small molecule compound
9-{3-bromo-4-[(4-fluorobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198902
SMILES Fc1ccc(cc1)COc1ccc(cc1Br)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
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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/c27-18-13-16(9-12-21(18)31-14-15-7-10-17(28)11-8-15)24-25-19(29)3-1-5-22(25)32-23-6-2-4-20(30)26(23)24/h7-13,24H,1-6,14H2InChIKey
UNYHZYCSOZNPTD-UHFFFAOYSA-NSynonyms
9(3bromo4((4fluorobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(3bromo4((4fluorophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)F)Br)C(=O)C1
InChI=1SC26H22BrFO4c27181316(91221(18)31141571017(28)11815)242519(29)31522(25)322362420(30)26(23)24h71324H1614H2
MFCD03708179
ZINC000001158600
ZINC01158600
ZINC1158600
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