Vitas-M small molecule compound

9-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STK198860
SMILES CCOc1cc(ccc1OCc1ccccc1F)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 C28H27FO5 MW 462.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27FO5/c1-2-32-25-15-17(13-14-22(25)33-16-18-7-3-4-8-19(18)29)26-27-20(30)9-5-11-23(27)34-24-12-6-10-21(31)28(24)26/h3-4,7-8,13-15,26H,2,5-6,9-12,16H2,1H3
InChIKey
XKAQLIGDUXRXDZ-UHFFFAOYSA-N
Synonyms

9(3ethoxy4((2fluorobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(3ethoxy4((2fluorophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC5=CC=CC=C5F
InChI=1SC28H27FO5c1232251517(131422(25)331618734819(18)29)262720(30)951123(27)34241261021(31)28(24)26h3478131526H25691216H21H3
MFCD03708100
ZINC000001158303
ZINC01158303
ZINC1158303

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Available files

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