Vitas-M small molecule compound

butyl {[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate

Catalog ID
STK016730
SMILES CCCCOC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C

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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 C25H26O7 MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26O7/c1-3-4-10-30-23(26)15-31-18-7-8-19-21(14-18)32-16(2)24(25(19)27)17-6-9-20-22(13-17)29-12-5-11-28-20/h6-9,13-14H,3-5,10-12,15H2,1-2H3
InChIKey
OBKROOGSNZFOHQ-UHFFFAOYSA-N
Synonyms
303786-91-6
303786916
BUTYL((3(34DIHYDRO2H15BENZODIOXEPIN7YL)2METHYL4OXO4HCHROMEN7YL)OXY)ACETATE
BUTYL2((3(34DIHYDRO2H15BENZODIOXEPIN7YL)2METHYL4OXO4HCHROMEN7YL)OXY)ACETATE
butyl2((3(34dihydro2Hbenzo(b)(14)dioxepin7yl)2methyl4oxo4Hchromen7yl)oxy)acetate
BUTYL2(3(34DIHYDRO2H15BENZODIOXEPIN7YL)2METHYL4OXOCHROMEN7YL)OXYACETATE
CCCCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4
CCCCOC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C
InChI=1SC25H26O7c134103023(26)153118781921(1418)3216(2)24(25(19)27)17692022(1317)29125112820h691314H35101215H212H3
MFCD01544690
STK016730
ZINC000003206479
ZINC03206479
ZINC3206479

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Available files

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