Vitas-M small molecule compound

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

Catalog ID
STK198873
SMILES CCOc1cc(ccc1OCc1ccc(cc1)F)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/c1-2-32-25-15-18(11-14-22(25)33-16-17-9-12-19(29)13-10-17)26-27-20(30)5-3-7-23(27)34-24-8-4-6-21(31)28(24)26/h9-15,26H,2-8,16H2,1H3
InChIKey
UUTAIWSVIYAISQ-UHFFFAOYSA-N
Synonyms

9(3ethoxy4((4fluorobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(3ethoxy4((4fluorophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC5=CC=C(C=C5)F
InChI=1SC28H27FO5c1232251518(111422(25)33161791219(29)131017)262720(30)53723(27)342484621(31)28(24)26h91526H2816H21H3
MFCD03707442
ZINC000001156373
ZINC01156373
ZINC1156373

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Available files

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