Vitas-M small molecule compound
2-butanoyl-3-[(3,4-dimethylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STL327083
SMILES CCCC(=O)C1=C(Nc2ccc(c(c2)C)C)CC(CC1=O)(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 C20H27NO2 MW 313.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO2/c1-6-7-17(22)19-16(11-20(4,5)12-18(19)23)21-15-9-8-13(2)14(3)10-15/h8-10,21H,6-7,11-12H2,1-5H3InChIKey
SIESKXZJLRATNN-UHFFFAOYSA-NSynonyms
2BUTANOYL3((34DIMETHYLPHENYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
2BUTANOYL3(34DIMETHYLANILINO)55DIMETHYLCYCLOHEX2EN1ONE
2butyryl3((34dimethylphenyl)amino)55dimethylcyclohex2enone
CCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC(=C(C=C2)C)C
InChI=1SC20H27NO2c16717(22)1916(1120(45)1218(19)23)21159813(2)14(3)1015h81021H671112H215H3
MFCD00513026
ZINC000000287287
ZINC00287287
ZINC287287
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