Vitas-M small molecule compound

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-ethyl-2-hydroxy-4-methoxyphenyl)ethanone

Catalog ID
STL512687
SMILES COc1cc(O)c(cc1CC)C(=O)Cc1ccc2c(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 C20H22O5 MW 342.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22O5/c1-3-14-11-15(17(22)12-19(14)23-2)16(21)9-13-5-6-18-20(10-13)25-8-4-7-24-18/h5-6,10-12,22H,3-4,7-9H2,1-2H3
InChIKey
UIDJQKXEKGKKAM-UHFFFAOYSA-N
Synonyms
313525-54-1
2(34dihydro2~(H)15benzodioxepin7yl)1(5ethyl2hydroxy4methoxyphenyl)ethanone
2(34dihydro2H15benzodioxepin7yl)1(5ethyl2hydroxy4methoxyphenyl)ethanone
2(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)1(5ETHYL2HYDROXY4METHOXYPHENYL)ETHAN1ONE
2(34dihydro2Hbenzo(b)(14)dioxepin7yl)1(5ethyl2hydroxy4methoxyphenyl)ethanone
313525541
765922
InChI=1SC20H22O5c13141115(17(22)1219(14)232)16(21)913561820(1013)258472418h56101222H3479H212H3
MFCD00991494
ZINC000000241875
ZINC241875

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Available files

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