Vitas-M small molecule compound
9-{3-chloro-5-ethoxy-4-[(3-fluorobenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198863
SMILES CCOc1cc(cc(c1OCc1cccc(c1)F)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(13-19(29)28(24)34-15-16-6-3-7-18(30)12-16)25-26-20(31)8-4-10-22(26)35-23-11-5-9-21(32)27(23)25/h3,6-7,12-14,25H,2,4-5,8-11,15H2,1H3InChIKey
AEUNMVJQDUQPBZ-UHFFFAOYSA-NSynonyms
9(3chloro5ethoxy4((3fluorobenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(3chloro5ethoxy4((3fluorophenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Cl)OCC5=CC(=CC=C5)F
InChI=1SC28H26ClFO5c1233241417(1319(29)28(24)34151663718(30)1216)252620(31)841022(26)3523115921(32)27(23)25h367121425H24581115H21H3
MFCD03707897
ZINC000002999235
ZINC02999235
ZINC2999235
Check stock
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