Vitas-M small molecule compound

1,1''-dichloro-1,1':3',1''-ter(cyclohexan)-2'-one

Catalog ID
STK528000
SMILES O=C1C(CCCC1C1(Cl)CCCCC1)C1(Cl)CCCCC1

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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 C18H28Cl2O MW 331.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28Cl2O/c19-17(10-3-1-4-11-17)14-8-7-9-15(16(14)21)18(20)12-5-2-6-13-18/h14-15H,1-13H2
InChIKey
KOEQHYLZXJFOST-UHFFFAOYSA-N
Synonyms
114253-96-2
114253962
11dichloro(1131tercyclohexan)2one
11dichloro1131ter(cyclohexan)2one
26BIS(1CHLOROCYCLOHEXYL)CYCLOHEXAN1ONE
C1CCC(CC1)(C2CCCC(C2=O)C3(CCCCC3)Cl)Cl
InChI=1SC18H28Cl2Oc1917(103141117)1487915(16(14)21)18(20)125261318h1415H113H2
MFCD01088407
ZINC000002272762
ZINC000013764240

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Available files

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