Vitas-M small molecule compound

[2-(benzyloxy)-5-fluorophenyl][3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxiran-2-yl]methanone

Catalog ID
STK832525
SMILES Fc1ccc(c(c1)C(=O)C1OC1c1ccc2c(c1)OCCCO2)OCc1ccccc1

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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 C25H21FO5 MW 420.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FO5/c26-18-8-10-20(30-15-16-5-2-1-3-6-16)19(14-18)23(27)25-24(31-25)17-7-9-21-22(13-17)29-12-4-11-28-21/h1-3,5-10,13-14,24-25H,4,11-12,15H2
InChIKey
BCMDGXDRJCDIAR-UHFFFAOYSA-N
Synonyms
307509-08-6
(2(BENZYLOXY)5FLUOROPHENYL)((2S3S)3(34DIHYDRO2H15BENZODIOXEPIN7YL)OXIRAN2YL)METHANONE
(2(benzyloxy)5fluorophenyl)(3(34dihydro2H15benzodioxepin7yl)oxiran2yl)methanone
(2(BENZYLOXY)5FLUOROPHENYL)(3(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)OXIRAN2YL)METHANONE
(3(34DIHYDRO2H15BENZODIOXEPIN7YL)OXIRAN2YL)(5FLUORO2PHENYLMETHOXYPHENYL)METHANONE
3(2H3H4HBENZO(B)14DIOXEPAN7YL)OXIRAN2YL5FLUORO2(PHENYLMETHOXY)PHENYLKETONE
307509086
C1COC2=C(C=C(C=C2)C3C(O3)C(=O)C4=C(C=CC(=C4)F)OCC5=CC=CC=C5)OC1
InChI=1SC25H21FO5c261881020(3015165213616)19(1418)23(27)2524(3125)17792122(1317)29124112821h1351013142425H4111215H2
MFCD00991505
ZINC000000940955
ZINC000004070542

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.