Vitas-M small molecule compound

(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one

Catalog ID
STL512621
SMILES COc1ccc(c(c1)O)C(=O)/C=C/c1ccc2c(c1)OCCO2

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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 C18H16O5 MW 312.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16O5/c1-21-13-4-5-14(16(20)11-13)15(19)6-2-12-3-7-17-18(10-12)23-9-8-22-17/h2-7,10-11,20H,8-9H2,1H3/b6-2+
InChIKey
VNJIXIJBFWSXDA-QHHAFSJGSA-N
Synonyms
96755-05-4
(~(E))3(23dihydro14benzodioxin6yl)1(2hydroxy4methoxyphenyl)prop2en1one
(2E)3(23DIHYDRO14BENZODIOXIN6YL)1(2HYDROXY4METHOXYPHENYL)2PROPEN1ONE
(2E)3(23dihydro14benzodioxin6yl)1(2hydroxy4methoxyphenyl)prop2en1one
(2E)3(2H3HBENZO(34E)14DIOXIN6YL)1(2HYDROXY4METHOXYPHENYL)PROP2EN1ONE
(E)3(23DIHYDRO14BENZODIOXIN6YL)1(2HYDROXY4METHOXYPHENYL)PROP2EN1ONE
(E)3(23DIHYDROBENZO(B)(14)DIOXIN6YL)1(2HYDROXY4METHOXYPHENYL)PROP2EN1ONE
5378786
96755054
COc1ccc(c(c1)O)C(=O)C=Cc1ccc2c(c1)OCCO2
InChI=1SC18H16O5c121134514(16(20)1113)15(19)6212371718(1012)23982217h27101120H89H21H3b62+
MFCD00180089
PROPENONE1(2HYDROXY4METHOXYPHENYL)3(BENZO14DIOXAN6YL)
ZINC000004024662
ZINC4024662

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Available files

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