Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-methoxybenzyl)oxy]-2-methyl-4H-chromen-4-one
Catalog ID
STK888516
SMILES COc1ccc(cc1)COc1cc2oc(C)c(c(=O)c2cc1CC)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 C29H28O6 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28O6/c1-4-20-14-23-26(16-25(20)34-17-19-6-9-22(31-3)10-7-19)35-18(2)28(29(23)30)21-8-11-24-27(15-21)33-13-5-12-32-24/h6-11,14-16H,4-5,12-13,17H2,1-3H3InChIKey
NYIJFOKEBBYXFK-UHFFFAOYSA-NSynonyms
610752-05-13(2H3H4HBENZO(B)14DIOXEPAN7YL)6ETHYL7((4METHOXYPHENYL)METHOXY)2METHYLCHROMEN4ONE
3(34dihydro2H15benzodioxepin7yl)6ethyl7((4methoxybenzyl)oxy)2methyl4Hchromen4one
3(34DIHYDRO2H15BENZODIOXEPIN7YL)6ETHYL7((4METHOXYPHENYL)METHOXY)2METHYLCHROMEN4ONE
3(34dihydro2Hbenzo(b)(14)dioxepin7yl)6ethyl7((4methoxybenzyl)oxy)2methyl4Hchromen4one
610752051
CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=C(C=C5)OC
InChI=1SC29H28O6c1420142326(1625(20)3417196922(313)10719)3518(2)28(29(23)30)218112427(1521)33135123224h6111416H45121317H213H3
MFCD03660539
ZINC000001746550
ZINC01746550
ZINC1746550
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