Vitas-M small molecule compound
9-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198908
SMILES Fc1cccc(c1)COc1ccc(cc1Cl)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 C26H22ClFO4 MW 452.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClFO4/c27-18-13-16(10-11-21(18)31-14-15-4-1-5-17(28)12-15)24-25-19(29)6-2-8-22(25)32-23-9-3-7-20(30)26(23)24/h1,4-5,10-13,24H,2-3,6-9,14H2InChIKey
PNXCREVIHNSGLM-UHFFFAOYSA-NSynonyms
9(3chloro4((3fluorobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(3chloro4((3fluorophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)C(=O)C1
InChI=1SC26H22ClFO4c27181316(101121(18)31141541517(28)1215)242519(29)62822(25)322393720(30)26(23)24h145101324H236914H2
MFCD03271867
ZINC000000954529
ZINC00954529
ZINC954529
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