Vitas-M small molecule compound

(3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)but-3-en-2-one

Catalog ID
STK079631
SMILES CC(=O)/C=C/C1CC=C(CC1C)C

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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 C12H18O MW 178.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18O/c1-9-4-6-12(10(2)8-9)7-5-11(3)13/h4-5,7,10,12H,6,8H2,1-3H3/b7-5+
InChIKey
MHYAPRSMSRBFFO-FNORWQNLSA-N
Synonyms

(3E)4(46DIMETHYL3CYCLOHEXEN1YL)3BUTEN2ONE
(3E)4(46DIMETHYLCYCLOHEX3EN1YL)BUT3EN2ONE
(E)4(46DIMETHYLCYCLOHEX3EN1YL)BUT3EN2ONE
CC(=O)C=CC1CC=C(CC1C)C
CC1CC(=CCC1C=CC(=O)C)C
InChI=1SC12H18Oc194612(10(2)89)7511(3)13h4571012H68H213H3b75+
MFCD00462475
STK079631
ZINC000003882935
ZINC000004026448

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Available files

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