Vitas-M small molecule compound

4-[2-methyl-5-(prop-1-en-2-yl)cyclopent-1-en-1-yl]butan-2-one

Catalog ID
STK004098
SMILES CC(=O)CCC1=C(C)CCC1C(=C)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 C13H20O MW 192.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20O/c1-9(2)12-7-5-10(3)13(12)8-6-11(4)14/h12H,1,5-8H2,2-4H3
InChIKey
DMGPXLFAXQJGKK-UHFFFAOYSA-N
Synonyms
87-45-6
2BUTANONE4(2METHYL5(1METHYLETHENYL)1CYCLOPENTEN1YL)
3ISOPROPENYL1METHYL2(3OXOBUTYL)CYCLOPENT1ENE
4(2METHYL5(PROP1EN2YL)CYCLOPENT1EN1YL)BUTAN2ONE
4(2METHYL5ISOPROPENYL1CYCLOPENTEN1YL)2BUTANONE
4(2METHYL5PROP1EN2YLCYCLOPENTEN1YL)BUTAN2ONE
4(5ISOPROPENYL2METHYL1CYCLOPENTEN1YL)2BUTANONE
4(5ISOPROPENYL2METHYL1CYCLOPENTEN1YL)2BUTANONE(MI)
87456
CC(=O)CCC1=C(C)CCC1C(=C)C
CC1=C(C(CC1)C(=C)C)CCC(=O)C
InChI=1SC13H20Oc19(2)127510(3)13(12)8611(4)14h12H158H224H3
MFCD01004101
STK004098
ZINC000002106662
ZINC000002106663

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Available files

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