Vitas-M small molecule compound
2-butanoyl-3-[(3,4-dichlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STL326082
SMILES CCCC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)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 C18H21Cl2NO2 MW 354.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21Cl2NO2/c1-4-5-15(22)17-14(9-18(2,3)10-16(17)23)21-11-6-7-12(19)13(20)8-11/h6-8,21H,4-5,9-10H2,1-3H3InChIKey
JOEBHKLABSNPFD-UHFFFAOYSA-NSynonyms
2butanoyl3((34dichlorophenyl)amino)55dimethylcyclohex2en1one
2BUTANOYL3(34DICHLOROANILINO)55DIMETHYLCYCLOHEX2EN1ONE
2butyryl3((34dichlorophenyl)amino)55dimethylcyclohex2enone
CCCC(=O)C1=C(CC(CC1=O)(C)C)NC2=CC(=C(C=C2)Cl)Cl
InChI=1SC18H21Cl2NO2c14515(22)1714(918(23)1016(17)23)21116712(19)13(20)811h6821H45910H213H3
MFCD00513027
ZINC000001234025
ZINC01234025
ZINC1234025
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