Vitas-M small molecule compound

tert-butyl {[(2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate

Catalog ID
STK856610
SMILES O=C(OC(C)(C)C)COc1ccc2c(c1)O/C(=C\c1ccccc1C)/C2=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 C22H22O5 MW 366.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O5/c1-14-7-5-6-8-15(14)11-19-21(24)17-10-9-16(12-18(17)26-19)25-13-20(23)27-22(2,3)4/h5-12H,13H2,1-4H3/b19-11-
InChIKey
DOSPPDQWKYLRGV-ODLFYWEKSA-N
Synonyms
620548-01-8
(Z)tertbutyl2((2(2methylbenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetate
620548018
CC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)OC(C)(C)C
InChI=1SC22H22O5c114756815(14)111921(24)1710916(1218(17)2619)251320(23)2722(23)4h512H13H214H3b1911
MFCD04165910
O=C(OC(C)(C)C)COc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O
tertbutyl(((2Z)2(2methylbenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetate
TERTBUTYL2(((2Z)2((2METHYLPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETATE
TERTBUTYL2(2((2METHYLPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)ACETATE
ZINC000013653932
ZINC13653932

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Available files

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