Vitas-M small molecule compound

ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxobutanoate

Catalog ID
STK081202
SMILES CCOC(=O)/C(=C\c1ccc2c(c1)OCO2)/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 C14H14O5 MW 262.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14O5/c1-3-17-14(16)11(9(2)15)6-10-4-5-12-13(7-10)19-8-18-12/h4-7H,3,8H2,1-2H3/b11-6-
InChIKey
HWDVKOKROKJIQO-WDZFZDKYSA-N
Synonyms
24393-40-6
24393406
2BENZO(13)DIOXOL5YLMETHYLENE3OXOBUTYRICACIDETHYLESTER
CCOC(=O)C(=CC1=CC2=C(C=C1)OCO2)C(=O)C
CCOC(=O)C(=Cc1ccc2c(c1)OCO2)C(=O)C
ETHYL(2Z)2(13BENZODIOXOL5YLMETHYLIDENE)3OXOBUTANOATE
InChI=1SC14H14O5c131714(16)11(9(2)15)610451213(710)1981812h47H38H212H3b116
MFCD00619408
STK081202
ZINC000004611650
ZINC04611650
ZINC4611650

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Available files

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