Vitas-M small molecule compound
methyl (5E)-5-[(benzylamino)methylidene]-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Catalog ID
STL298121
SMILES COC(=O)C1C(=O)/C(=C/NCc2ccccc2)/C(=O)CC1(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 C18H21NO4 MW 315.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO4/c1-18(2)9-14(20)13(16(21)15(18)17(22)23-3)11-19-10-12-7-5-4-6-8-12/h4-8,11,15,19H,9-10H2,1-3H3/b13-11+InChIKey
HFQURCREARHTHA-ACCUITESSA-NSynonyms
(E)methyl5((benzylamino)methylene)22dimethyl46dioxocyclohexanecarboxylate
5(BENZYLAMINOMETHYLENE)22DIMETHYL46DIOXOCYCLOHEXANECARBOXYLICACIDMETHYLESTER
CC1(CC(=O)C(=CNCC2=CC=CC=C2)C(=O)C1C(=O)OC)C
COC(=O)C1C(=O)C(=CNCc2ccccc2)C(=O)CC1(C)C
InChI=1SC18H21NO4c118(2)914(20)13(16(21)15(18)17(22)233)111910127546812h48111519H910H213H3b1311+
METHYL(5E)5((BENZYLAMINO)METHYLIDENE)22DIMETHYL46DIOXOCYCLOHEXANE1CARBOXYLATE
methyl(5E)5((benzylamino)methylidene)22dimethyl46dioxocyclohexanecarboxylate
METHYL66DIMETHYL24DIOXO3((BENZYLAMINO)METHYLENE)CYCLOHEXANECARBOXYLATE
MFCD00564095
ZINC000100318914
ZINC000100318917
ZINC000103694419
ZINC000103694424
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