Vitas-M small molecule compound

(2Z)-2-(3,4-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate

Catalog ID
STK652021
SMILES O=C(C(C)(C)C)Oc1ccc2c(c1)O/C(=C\c1ccc(c(c1)Cl)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 C20H16Cl2O4 MW 391.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl2O4/c1-20(2,3)19(24)25-12-5-6-13-16(10-12)26-17(18(13)23)9-11-4-7-14(21)15(22)8-11/h4-10H,1-3H3/b17-9-
InChIKey
WBCWZXZNXHVKSN-MFOYZWKCSA-N
Synonyms
622360-40-1
((2Z)2((34DICHLOROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)22DIMETHYLPROPANOATE
(2Z)2(34dichlorobenzylidene)3oxo23dihydro1benzofuran6yl22dimethylpropanoate
(Z)2(34dichlorobenzylidene)3oxo23dihydrobenzofuran6ylpivalate
2((34DICHLOROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL22DIMETHYLPROPANOATE
622360401
CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)O2
InChI=1SC20H16Cl2O4c120(23)19(24)2512561316(1012)2617(18(13)23)9114714(21)15(22)811h410H13H3b179
MFCD04163557
O=C(C(C)(C)C)Oc1ccc2c(c1)OC(=Cc1ccc(c(c1)Cl)Cl)C2=O
ZINC000005854085
ZINC05854085
ZINC5854085

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Available files

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