Vitas-M small molecule compound
2-{[(4-chlorobenzyl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK098840
SMILES O=C1CC(C)(C)CC(=O)C1=CNCc1ccc(cc1)Cl
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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 C16H18ClNO2 MW 291.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18ClNO2/c1-16(2)7-14(19)13(15(20)8-16)10-18-9-11-3-5-12(17)6-4-11/h3-6,10,18H,7-9H2,1-2H3InChIKey
XDSVCMNGBUVINY-UHFFFAOYSA-NSynonyms
2(((4chlorobenzyl)amino)methylene)55dimethylcyclohexane13dione
2(((4CHLOROBENZYL)AMINO)METHYLIDENE)55DIMETHYLCYCLOHEXANE13DIONE
2(((4CHLOROPHENYL)METHYLAMINO)METHYLIDENE)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(=CNCC2=CC=C(C=C2)Cl)C(=O)C1)C
InChI=1SC16H18ClNO2c116(2)714(19)13(15(20)816)10189113512(17)6411h361018H79H212H3
MFCD00813269
O=C1CC(C)(C)CC(=O)C1=CNCc1ccc(cc1)Cl
STK098840
ZINC000100379733
ZINC100379733
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