Vitas-M small molecule compound

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

Catalog ID
STL525422
SMILES CCOC(=O)C(Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C)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 C24H24O7 MW 424.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24O7/c1-4-27-24(26)15(3)30-17-7-8-18-20(13-17)31-14(2)22(23(18)25)16-6-9-19-21(12-16)29-11-5-10-28-19/h6-9,12-13,15H,4-5,10-11H2,1-3H3
InChIKey
FYZTWMQIQUXOIV-UHFFFAOYSA-N
Synonyms
300814-17-9
300814179
5182456
ethyl2((3(34dihydro2H15benzodioxepin7yl)2methyl4oxo4Hchromen7yl)oxy)propanoate
ETHYL2((3(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)2METHYL4OXO4HCHROMEN7YL)OXY)PROPANOATE
ETHYL2(3(2H3H4HBENZO(34B)14DIOXEPIN7YL)2METHYL4OXOCHROMEN7YLOXY)PROPANOATE
ethyl2(3(34dihydro2~(H)15benzodioxepin7yl)2methyl4oxochromen7yl)oxypropanoate
ETHYL2(3(34DIHYDRO2H15BENZODIOXEPIN7YL)2METHYL4OXOCHROMEN7YL)OXYPROPANOATE
InChI=1SC24H24O7c142724(26)15(3)3017781820(1317)3114(2)22(23(18)25)16691921(1216)29115102819h69121315H451011H213H3
MFCD00708027
ZINC000000630342
ZINC000000630344

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Available files

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