Vitas-M small molecule compound

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

Catalog ID
STK198859
SMILES CCOc1cc(cc(c1OCc1ccccc1F)Cl)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 C28H26ClFO5 MW 496.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClFO5/c1-2-33-24-14-17(13-18(29)28(24)34-15-16-7-3-4-8-19(16)30)25-26-20(31)9-5-11-22(26)35-23-12-6-10-21(32)27(23)25/h3-4,7-8,13-14,25H,2,5-6,9-12,15H2,1H3
InChIKey
RTMUXGWGYVVBND-UHFFFAOYSA-N
Synonyms

9(3chloro5ethoxy4((2fluorobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(3chloro5ethoxy4((2fluorophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Cl)OCC5=CC=CC=C5F
InChI=1SC28H26ClFO5c1233241417(1318(29)28(24)341516734819(16)30)252620(31)951122(26)35231261021(32)27(23)25h3478131425H25691215H21H3
MFCD03707958
ZINC000001157941
ZINC01157941
ZINC1157941

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Available files

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