Vitas-M small molecule compound

methyl 4-(1,3-benzodioxol-5-yl)-2,4-dioxobutanoate

Catalog ID
STK313306
SMILES COC(=O)C(=O)CC(=O)c1ccc2c(c1)OCO2

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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 C12H10O6 MW 250.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10O6/c1-16-12(15)9(14)5-8(13)7-2-3-10-11(4-7)18-6-17-10/h2-4H,5-6H2,1H3
InChIKey
PIOJWDDCFUZORX-UHFFFAOYSA-N
Synonyms
832741-10-3
4BENZO(13)DIOXOL5YL24DIOXOBUTYRICACIDMET
4BENZO(13)DIOXOL5YL24DIOXOBUTYRICACIDMETHYLESTER
832741103
COC(=O)C(=O)CC(=O)C1=CC2=C(C=C1)OCO2
InChI=1SC12H10O6c11612(15)9(14)58(13)7231011(47)1861710h24H56H21H3
methyl4(13benzodioxol5yl)24dioxobutanoate
METHYL4(2H13BENZODIOXOL5YL)24DIOXOBUTANOATE
METHYL4(2HBENZO(34D)13DIOXOLEN5YL)24DIOXOBUTANOATE
METHYL4(BENZO(D)(13)DIOXOL5YL)24DIOXOBUTANOATE
MFCD04967386
ZINC000100388242
ZINC100388242

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Available files

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