Vitas-M small molecule compound

2-butanoyl-5,5-dimethyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one

Catalog ID
STL333253
SMILES CCCC(=O)C1=C(CC(CC1=O)(C)C)N1CCCC1

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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 C16H25NO2 MW 263.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H25NO2/c1-4-7-13(18)15-12(17-8-5-6-9-17)10-16(2,3)11-14(15)19/h4-11H2,1-3H3
InChIKey
JYAGJIGLOWLZBQ-UHFFFAOYSA-N
Synonyms
126279-92-3
126279923
1PYRROLIZINO2BUTYRYL55DIMETHYLCYCLOHEXENE3ONE
2butanoyl55dimethyl3(pyrrolidin1yl)cyclohex2en1one
2BUTANOYL55DIMETHYL3PYRROLIDIN1YLCYCLOHEX2EN1ONE
2BUTYRYL55DIMETHYL3(1PYRROLIDINYL)2CYCLOHEXEN1ONE
2butyryl55dimethyl3(pyrrolidin1yl)cyclohex2enone
2BUTYRYL55DIMETHYL3PYRROLIDIN1YLCYCLOHEX2ENONE
CCCC(=O)C1=C(CC(CC1=O)(C)C)N2CCCC2
InChI=1SC16H25NO2c14713(18)1512(17856917)1016(23)1114(15)19h411H213H3
MFCD00512995
ZINC000000287242
ZINC00287242
ZINC287242

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Available files

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