Vitas-M small molecule compound

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

Catalog ID
STK992454
SMILES O=C(OC(C)(C)C)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)Cl)/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 C21H19ClO5 MW 386.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClO5/c1-21(2,3)27-19(23)12-25-15-8-9-16-17(11-15)26-18(20(16)24)10-13-4-6-14(22)7-5-13/h4-11H,12H2,1-3H3/b18-10-
InChIKey
LRMXAJVROISJAJ-ZDLGFXPLSA-N
Synonyms
623117-66-8
(Z)tertbutyl2((2(4chlorobenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetate
623117668
CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)Cl)O2
InChI=1SC21H19ClO5c121(23)2719(23)122515891617(1115)2618(20(16)24)10134614(22)7513h411H12H213H3b1810
MFCD06295423
O=C(OC(C)(C)C)COc1ccc2c(c1)OC(=Cc1ccc(cc1)Cl)C2=O
tertbutyl(((2Z)2(4chlorobenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetate
TERTBUTYL2(((2Z)2((4CHLOROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETATE
TERTBUTYL2(2((4CHLOROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)ACETATE
ZINC000009482345
ZINC09482345
ZINC9482345

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Available files

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