Vitas-M small molecule compound

7-methyl-1,2,5a,6,9,9a-hexahydro-1,4-epoxy-3-benzoxepin-5(4H)-one

Catalog ID
STK774057
SMILES CC1=CCC2C(C1)C(=O)C1OC2CO1

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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 C11H14O3 MW 194.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H14O3/c1-6-2-3-7-8(4-6)10(12)11-13-5-9(7)14-11/h2,7-9,11H,3-5H2,1H3
InChIKey
HDBHANIRFZRXAB-UHFFFAOYSA-N
Synonyms

(1S4S5AR9AS)7METHYL125A699AHEXAHYDRO14EPOXY3BENZOXEPIN5(4H)ONE
7methyl125a699ahexahydro14epoxy3benzoxepin5(4H)one
CC1=CCC2C(C1)C(=O)C3OCC2O3
InChI=1SC11H14O3c162378(46)10(12)111359(7)1411h27911H35H21H3
MFCD03856025
ZINC000103007742
ZINC000103007747

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Available files

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