Vitas-M small molecule compound
methyl (5E)-5-[1-(benzylamino)butylidene]-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Catalog ID
STK530849
SMILES CCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NCc1ccccc1
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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 C21H27NO4 MW 357.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO4/c1-5-9-15(22-13-14-10-7-6-8-11-14)17-16(23)12-21(2,3)18(19(17)24)20(25)26-4/h6-8,10-11,18,22H,5,9,12-13H2,1-4H3/b17-15+InChIKey
OTNVBYKPVJTERD-BMRADRMJSA-NSynonyms
(E)methyl5(1(benzylamino)butylidene)22dimethyl46dioxocyclohexanecarboxylate
CCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)NCc1ccccc1
CCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)NCC2=CC=CC=C2
InChI=1SC21H27NO4c15915(221314107681114)1716(23)1221(23)18(19(17)24)20(25)264h6810111822H591213H214H3b1715+
METHYL(5E)5(1(BENZYLAMINO)BUTYLIDENE)22DIMETHYL46DIOXOCYCLOHEXANE1CARBOXYLATE
methyl(5E)5(1(benzylamino)butylidene)22dimethyl46dioxocyclohexanecarboxylate
METHYL5(1(BENZYLAMINO)BUTYLIDENE)22DIMETHYL46DIOXOCYCLOHEXANECARBOXYLATE
MFCD00564123
ZINC000100319269
ZINC000100319274
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