Vitas-M small molecule compound

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-(propan-2-yloxy)-4H-chromen-4-one

Catalog ID
STL512643
SMILES CC(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 C22H22O5 MW 366.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O5/c1-13(2)26-16-6-7-17-19(12-16)27-14(3)21(22(17)23)15-5-8-18-20(11-15)25-10-4-9-24-18/h5-8,11-13H,4,9-10H2,1-3H3
InChIKey
KCPQWIKBEICVPV-UHFFFAOYSA-N
Synonyms
202843-28-5
202843285
3(2H3H4HBENZO(34B)14DIOXEPAN7YL)2METHYL7(METHYLETHOXY)CHROMEN4ONE
3(34dihydro2~(H)15benzodioxepin7yl)2methyl7propan2yloxychromen4one
3(34dihydro2H15benzodioxepin7yl)2methyl7(propan2yloxy)4Hchromen4one
3(34DIHYDRO2H15BENZODIOXEPIN7YL)2METHYL7PROPAN2YLOXYCHROMEN4ONE
3(34DIHYDRO2H15BENZODIOXEPIN7YL)7ISOPROPOXY2METHYL4HCHROMEN4ONE
3(34dihydro2Hbenzo(b)(14)dioxepin7yl)7isopropoxy2methyl4Hchromen4one
984005
InChI=1SC22H22O5c113(2)2616671719(1216)2714(3)21(22(17)23)15581820(1115)2510492418h581113H4910H213H3
MFCD01081408
ZINC000000630345
ZINC630345

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Available files

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