Vitas-M small molecule compound

ethyl 4-oxo-3-oxaspiro[bicyclo[3.1.0]hexane-2,1'-cyclohexane]-5-carboxylate

Catalog ID
STK694831
SMILES CCOC(=O)C12CC2C2(OC1=O)CCCCC2

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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 C13H18O4 MW 238.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18O4/c1-2-16-10(14)13-8-9(13)12(17-11(13)15)6-4-3-5-7-12/h9H,2-8H2,1H3
InChIKey
WMCJKLQNQFITGI-UHFFFAOYSA-N
Synonyms

CCOC(=O)C12CC1C3(CCCCC3)OC2=O
ETHYL2OXO3OXASPIRO(BICYCLO(310)HEXANE41CYCLOHEXANE)CARBOXYLATE
ethyl2oxospiro(3oxabicyclo(310)hexane41cyclohexane)1carboxylate
ethyl4oxo3oxaspiro(bicyclo(310)hexane21cyclohexane)5carboxylate
InChI=1SC13H18O4c121610(14)1389(13)12(1711(13)15)6435712h9H28H21H3
MFCD12035012
ZINC000035325905
ZINC000100244199

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Available files

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