Vitas-M small molecule compound

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3-methoxybenzoate

Catalog ID
STK856739
SMILES CCc1cc2c(cc1OC(=O)c1cccc(c1)OC)occ(c2=O)c1ccc2c(c1)OCCO2

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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 C27H22O7 MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22O7/c1-3-16-12-20-24(14-23(16)34-27(29)18-5-4-6-19(11-18)30-2)33-15-21(26(20)28)17-7-8-22-25(13-17)32-10-9-31-22/h4-8,11-15H,3,9-10H2,1-2H3
InChIKey
TUSMEUDCBDTNLK-UHFFFAOYSA-N
Synonyms
610760-51-5
(3(23DIHYDRO14BENZODIOXIN6YL)6ETHYL4OXOCHROMEN7YL)3METHOXYBENZOATE
3(23dihydro14benzodioxin6yl)6ethyl4oxo4Hchromen7yl3methoxybenzoate
3(23DIHYDROBENZO(B)(14)DIOXIN6YL)6ETHYL4OXO4HCHROMEN7YL3METHOXYBENZOATE
3(2H3HBENZO(34E)14DIOXAN6YL)6ETHYL4OXOCHROMEN7YL3METHOXYBENZOATE
610760515
CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC(=CC=C5)OC
InChI=1SC27H22O7c1316122024(1423(16)3427(29)1854619(1118)302)331521(26(20)28)17782225(1317)321093122h481115H3910H212H3
MFCD03660858
ZINC000001321216
ZINC01321216
ZINC1321216

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Available files

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