Vitas-M small molecule compound

(5E)-5-(furan-2-ylmethylidene)-2,2-dimethyltetrahydro-4H-pyran-4-one

Catalog ID
STK995810
SMILES O=C1CC(C)(C)OC/C/1=C\c1ccco1

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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 C12H14O3 MW 206.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14O3/c1-12(2)7-11(13)9(8-15-12)6-10-4-3-5-14-10/h3-6H,7-8H2,1-2H3/b9-6+
InChIKey
KWAKYMRJOMVREK-RMKNXTFCSA-N
Synonyms
100096-06-8
(5E)5(FURAN2YLMETHYLIDENE)22DIMETHYLOXAN4ONE
(5E)5(furan2ylmethylidene)22dimethyltetrahydro4Hpyran4one
(E)5(furan2ylmethylene)22dimethyldihydro2Hpyran4(3H)one
100096068
5FURAN2YLMETHYLENE22DIMETHYLTETRAHYDROPYRAN4ONE
CC1(CC(=O)C(=CC2=CC=CO2)CO1)C
InChI=1SC12H14O3c112(2)711(13)9(81512)6104351410h36H78H212H3b96+
MFCD01546438
O=C1CC(C)(C)OCC1=Cc1ccco1
ZINC000000209701
ZINC00209701
ZINC209701

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Available files

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