Vitas-M small molecule compound

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-4-methoxy-5-propylphenyl)ethanone

Catalog ID
STL512814
SMILES CCCc1cc(C(=O)Cc2ccc3c(c2)OCCO3)c(cc1OC)O

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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/c1-3-4-14-11-15(17(22)12-19(14)23-2)16(21)9-13-5-6-18-20(10-13)25-8-7-24-18/h5-6,10-12,22H,3-4,7-9H2,1-2H3
InChIKey
GCBJLQIUEIBROE-UHFFFAOYSA-N
Synonyms
170511-19-0
170511190
2(23DIHYDRO14BENZODIOXIN6YL)1(2HYDROXY4METHOXY5PROPYLPHENYL)ETHAN1ONE
2(23dihydro14benzodioxin6yl)1(2hydroxy4methoxy5propylphenyl)ethanone
2(23dihydrobenzo(b)(14)dioxin6yl)1(2hydroxy4methoxy5propylphenyl)ethanone
764009
InChI=1SC20H22O5c134141115(17(22)1219(14)232)16(21)913561820(1013)25872418h56101222H3479H212H3
MFCD01235739
ZINC000000238476
ZINC238476

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Available files

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