Vitas-M small molecule compound

(2Z)-2-(2,4-dimethoxybenzylidene)-6-[(3-methylbut-2-en-1-yl)oxy]-1-benzofuran-3(2H)-one

Catalog ID
STK923373
SMILES COc1cc(OC)ccc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC=C(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/c1-14(2)9-10-26-17-7-8-18-20(13-17)27-21(22(18)23)11-15-5-6-16(24-3)12-19(15)25-4/h5-9,11-13H,10H2,1-4H3/b21-11-
InChIKey
UTXVXVIFMQEQPH-NHDPSOOVSA-N
Synonyms
858765-58-9
(2Z)2((24DIMETHOXYPHENYL)METHYLIDENE)6(3METHYLBUT2ENOXY)1BENZOFURAN3ONE
(2Z)2(24dimethoxybenzylidene)6((3methylbut2en1yl)oxy)1benzofuran3(2H)one
(Z)2(24dimethoxybenzylidene)6((3methylbut2en1yl)oxy)benzofuran3(2H)one
2((24DIMETHOXYPHENYL)METHYLENE)6(3METHYLBUT2ENYLOXY)BENZO(B)FURAN3ONE
858765589
CC(=CCOC1=CC2=C(C=C1)C(=O)C(=CC3=C(C=C(C=C3)OC)OC)O2)C
COc1cc(OC)ccc1C=C1Oc2c(C1=O)ccc(c2)OCC=C(C)C
InChI=1SC22H22O5c114(2)9102617781820(1317)2721(22(18)23)11155616(243)1219(15)254h591113H10H214H3b2111
MFCD04143975
ZINC000012662988
ZINC12662988

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Available files

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