Vitas-M small molecule compound

3-[(2,2-dimethoxyethyl)amino]-5,5-dimethylcyclohex-2-en-1-one

Catalog ID
STK150046
SMILES COC(CNC1=CC(=O)CC(C1)(C)C)OC

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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 C12H21NO3 MW 227.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H21NO3/c1-12(2)6-9(5-10(14)7-12)13-8-11(15-3)16-4/h5,11,13H,6-8H2,1-4H3
InChIKey
KOIKSIPGCZMSIJ-UHFFFAOYSA-N
Synonyms
669755-11-7
3((22DIMETHOXYETHYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
3(22DIMETHOXYETHYLAMINO)55DIMETHYLCYCLOHEX2EN1ONE
669755117
CC1(CC(=CC(=O)C1)NCC(OC)OC)C
InChI=1SC12H21NO3c112(2)69(510(14)712)13811(153)164h51113H68H214H3
MFCD01444757
ZINC000018254555
ZINC18254555

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Available files

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