Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-methylbenzyl)oxy]-4H-chromen-4-one
Catalog ID
STK888469
SMILES CCc1cc2c(cc1OCc1ccc(cc1)C)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 C28H26O5 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26O5/c1-3-20-13-22-26(15-25(20)32-16-19-7-5-18(2)6-8-19)33-17-23(28(22)29)21-9-10-24-27(14-21)31-12-4-11-30-24/h5-10,13-15,17H,3-4,11-12,16H2,1-2H3InChIKey
PRYVGIXNCIXPSX-UHFFFAOYSA-NSynonyms
610761-29-03(2H3H4HBENZO(B)14DIOXEPAN7YL)6ETHYL7((4METHYLPHENYL)METHOXY)CHROMEN4ONE
3(34dihydro2H15benzodioxepin7yl)6ethyl7((4methylbenzyl)oxy)4Hchromen4one
3(34DIHYDRO2H15BENZODIOXEPIN7YL)6ETHYL7((4METHYLPHENYL)METHOXY)CHROMEN4ONE
3(34dihydro2Hbenzo(b)(14)dioxepin7yl)6ethyl7((4methylbenzyl)oxy)4Hchromen4one
610761290
CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC=C(C=C5)C
InChI=1SC28H26O5c1320132226(1525(20)3216197518(2)6819)331723(28(22)29)219102427(1421)31124113024h510131517H34111216H212H3
MFCD03660690
ZINC000002140610
ZINC02140610
ZINC2140610
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