Vitas-M small molecule compound

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

Catalog ID
STK627873
SMILES Clc1ccc(c(c1)Cl)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)C(C)(C)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 C20H16Cl2O4 MW 391.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl2O4/c1-20(2,3)19(24)25-13-6-7-14-16(10-13)26-17(18(14)23)8-11-4-5-12(21)9-15(11)22/h4-10H,1-3H3/b17-8-
InChIKey
XUJFHXRXTHFABN-IUXPMGMMSA-N
Synonyms
622823-91-0
((2Z)2((24DICHLOROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)22DIMETHYLPROPANOATE
(2Z)2(24dichlorobenzylidene)3oxo23dihydro1benzofuran6yl22dimethylpropanoate
(Z)2(24dichlorobenzylidene)3oxo23dihydrobenzofuran6ylpivalate
2((24DICHLOROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL22DIMETHYLPROPANOATE
622823910
CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)O2
Clc1ccc(c(c1)Cl)C=C1Oc2c(C1=O)ccc(c2)OC(=O)C(C)(C)C
InChI=1SC20H16Cl2O4c120(23)19(24)2513671416(1013)2617(18(14)23)8114512(21)915(11)22h410H13H3b178
MFCD06295024
ZINC000009184174
ZINC09184174
ZINC9184174

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Available files

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