Vitas-M small molecule compound

(2E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-4,5-dimethylphenyl)prop-2-en-1-one

Catalog ID
STL512666
SMILES O=C(c1cc(C)c(cc1O)C)/C=C/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 C20H20O4 MW 324.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20O4/c1-13-10-16(18(22)11-14(13)2)17(21)6-4-15-5-7-19-20(12-15)24-9-3-8-23-19/h4-7,10-12,22H,3,8-9H2,1-2H3/b6-4+
InChIKey
JNYCEPDUPWUJII-GQCTYLIASA-N
Synonyms
149744-47-8
(~(E))3(34dihydro2~(H)15benzodioxepin7yl)1(2hydroxy45dimethylphenyl)prop2en1one
(2E)3(2H3H4HBENZO(B)14DIOXEPIN7YL)1(2HYDROXY45DIMETHYLPHENYL)PROP2EN1ONE
(2E)3(34dihydro2H15benzodioxepin7yl)1(2hydroxy45dimethylphenyl)prop2en1one
(E)3(34DIHYDRO2H15BENZODIOXEPIN7YL)1(2HYDROXY45DIMETHYLPHENYL)PROP2EN1ONE
(E)3(34dihydro2Hbenzo(b)(14)dioxepin7yl)1(2hydroxy45dimethylphenyl)prop2en1one
149744478
3(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)1(2HYDROXY45DIMETHYLPHENYL)
5749457
InChI=1SC20H20O4c1131016(18(22)1114(13)2)17(21)6415571920(1215)249382319h47101222H389H212H3b64+
MFCD00181405
O=C(c1cc(C)c(cc1O)C)C=Cc1ccc2c(c1)OCCCO2
ZINC000004025008
ZINC4025008

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Available files

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