Vitas-M small molecule compound

ethyl 1,3-dioxo-3,3a,7,7a-tetrahydro-4,7-ethano-2-benzofuran-4(1H)-carboxylate

Catalog ID
STK528431
SMILES CCOC(=O)C12CCC(C=C1)C1C2C(=O)OC1=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 C13H14O5 MW 250.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14O5/c1-2-17-12(16)13-5-3-7(4-6-13)8-9(13)11(15)18-10(8)14/h3,5,7-9H,2,4,6H2,1H3
InChIKey
YUHKVFTVEJNHJO-UHFFFAOYSA-N
Synonyms

105881978
CCOC(=O)C12CCC(C=C1)C3C2C(=O)OC3=O
ethyl13dioxo133a477ahexahydro47ethanoisobenzofuran4carboxylate
ethyl13dioxo33a77atetrahydro47ethano2benzofuran4(1H)carboxylate
InChI=1SC13H14O5c121712(16)13537(4613)89(13)11(15)1810(8)14h3579H246H21H3
MFCD00213760
ZINC000095681839
ZINC000239433947

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Available files

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