Vitas-M small molecule compound

methyl (2E)-2-(3,4-dichlorobenzylidene)-3-oxobutanoate

Catalog ID
STK368895
SMILES COC(=O)/C(=C/c1ccc(c(c1)Cl)Cl)/C(=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 C12H10Cl2O3 MW 273.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10Cl2O3/c1-7(15)9(12(16)17-2)5-8-3-4-10(13)11(14)6-8/h3-6H,1-2H3/b9-5+
InChIKey
YHDKLRBHEMIDHZ-WEVVVXLNSA-N
Synonyms

(Z)methyl2(34dichlorobenzylidene)3oxobutanoate
2(34DICHLOROBENZYLIDENE)3OXOBUTYRICACIDMETHYLESTER
CC(=O)C(=CC1=CC(=C(C=C1)Cl)Cl)C(=O)OC
COC(=O)C(=Cc1ccc(c(c1)Cl)Cl)C(=O)C
InChI=1SC12H10Cl2O3c17(15)9(12(16)172)583410(13)11(14)68h36H12H3b95+
METHYL(2E)2((34DICHLOROPHENYL)METHYLIDENE)3OXOBUTANOATE
methyl(2E)2(34dichlorobenzylidene)3oxobutanoate
METHYL(2E)2ACETYL3(34DICHLOROPHENYL)PROP2ENOATE
MFCD00440964
ZINC000004579311
ZINC04579311
ZINC4579311

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Available files

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