Vitas-M small molecule compound

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[(4-fluorobenzyl)oxy]-6-propyl-4H-chromen-4-one

Catalog ID
STK888609
SMILES CCCc1cc2c(cc1OCc1ccc(cc1)F)occ(c2=O)c1ccc2c(c1)OCCCO2

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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 C28H25FO5 MW 460.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25FO5/c1-2-4-20-13-22-26(15-25(20)33-16-18-5-8-21(29)9-6-18)34-17-23(28(22)30)19-7-10-24-27(14-19)32-12-3-11-31-24/h5-10,13-15,17H,2-4,11-12,16H2,1H3
InChIKey
ISBJTJROEDSWSO-UHFFFAOYSA-N
Synonyms
610750-57-7
3(2H3H4HBENZO(B)14DIOXEPAN7YL)7((4FLUOROPHENYL)METHOXY)6PROPYLCHROMEN4ONE
3(34dihydro2H15benzodioxepin7yl)7((4fluorobenzyl)oxy)6propyl4Hchromen4one
3(34DIHYDRO2H15BENZODIOXEPIN7YL)7((4FLUOROPHENYL)METHOXY)6PROPYLCHROMEN4ONE
3(34dihydro2Hbenzo(b)(14)dioxepin7yl)7((4fluorobenzyl)oxy)6propyl4Hchromen4one
610750577
CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=C(C=C5)F
InChI=1SC28H25FO5c12420132226(1525(20)3316185821(29)9618)341723(28(22)30)197102427(1419)32123113124h510131517H24111216H21H3
MFCD03851686
ZINC000002149903
ZINC02149903
ZINC2149903

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Available files

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