Vitas-M small molecule compound

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

Catalog ID
STK992525
SMILES CC(OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)F)/C2=O)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 C20H17FO5 MW 356.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FO5/c1-12(2)25-19(22)11-24-15-7-8-16-17(10-15)26-18(20(16)23)9-13-3-5-14(21)6-4-13/h3-10,12H,11H2,1-2H3/b18-9-
InChIKey
DDBNTHVHLYATSW-NVMNQCDNSA-N
Synonyms
7048-59-1
(Z)isopropyl2((2(4fluorobenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetate
7048591
CC(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)F)O2
CC(OC(=O)COc1ccc2c(c1)OC(=Cc1ccc(cc1)F)C2=O)C
InChI=1SC20H17FO5c112(2)2519(22)112415781617(1015)2618(20(16)23)9133514(21)6413h31012H11H212H3b189
METHYLETHYL2(2((4FLUOROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)ACETATE
MFCD06295822
propan2yl(((2Z)2(4fluorobenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetate
PROPAN2YL2(((2Z)2((4FLUOROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETATE
ZINC000009530701
ZINC09530701
ZINC9530701

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Available files

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