Vitas-M small molecule compound

2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl]oxy}acetamide

Catalog ID
STK888794
SMILES CCc1cc2c(cc1OCC(=O)N)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 C22H21NO6 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO6/c1-2-13-8-15-19(10-18(13)29-12-21(23)24)28-11-16(22(15)25)14-4-5-17-20(9-14)27-7-3-6-26-17/h4-5,8-11H,2-3,6-7,12H2,1H3,(H2,23,24)
InChIKey
UPADHAAFJIWARH-UHFFFAOYSA-N
Synonyms
610764-44-8
2((3(34dihydro2H15benzodioxepin7yl)6ethyl4oxo4Hchromen7yl)oxy)acetamide
2((3(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)6ETHYL4OXO4HCHROMEN7YL)OXY)ACETAMIDE
2(3(2H3H4HBENZO(B)14DIOXEPAN7YL)6ETHYL4OXOCHROMEN7YLOXY)ACETAMIDE
2(3(34DIHYDRO2H15BENZODIOXEPIN7YL)6ETHYL4OXOCHROMEN7YL)OXYACETAMIDE
610764448
CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC(=O)N
InChI=1SC22H21NO6c121381519(1018(13)291221(23)24)281116(22(15)25)14451720(914)277362617h45811H236712H21H3(H22324)
MFCD03851630
ZINC000001128855
ZINC01128855
ZINC1128855

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Available files

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