Vitas-M small molecule compound

tert-butyl {[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate

Catalog ID
STK620753
SMILES O=C(OC(C)(C)C)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)C(C)(C)C)/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 C25H28O5 MW 408.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28O5/c1-24(2,3)17-9-7-16(8-10-17)13-21-23(27)19-12-11-18(14-20(19)29-21)28-15-22(26)30-25(4,5)6/h7-14H,15H2,1-6H3/b21-13-
InChIKey
MXPBAFYTEHYIBA-BKUYFWCQSA-N
Synonyms
620548-04-1
(Z)tertbutyl2((2(4(tertbutyl)benzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetate
620548041
CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)OC(C)(C)C
InChI=1SC25H28O5c124(23)179716(81017)132123(27)19121118(1420(19)2921)281522(26)3025(45)6h714H15H216H3b2113
MFCD04159760
O=C(OC(C)(C)C)COc1ccc2c(c1)OC(=Cc1ccc(cc1)C(C)(C)C)C2=O
tertbutyl(((2Z)2(4tertbutylbenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetate
TERTBUTYL2(((2Z)2((4TERTBUTYLPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETATE
TERTBUTYL2(2((4(TERTBUTYL)PHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)ACETATE
ZINC000006262678
ZINC06262678
ZINC6262678

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Available files

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