Vitas-M small molecule compound
methyl (5E)-5-[1-(butylamino)ethylidene]-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Catalog ID
STL563395
SMILES CCCCN/C(=C/1\C(=O)CC(C(C1=O)C(=O)OC)(C)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 C16H25NO4 MW 295.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H25NO4/c1-6-7-8-17-10(2)12-11(18)9-16(3,4)13(14(12)19)15(20)21-5/h13,17H,6-9H2,1-5H3/b12-10+InChIKey
GBWYMHAXSNCRKL-ZRDIBKRKSA-NSynonyms
(E)methyl5(1(butylamino)ethylidene)22dimethyl46dioxocyclohexanecarboxylate
CCCCNC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)C
methyl(5E)5(1(butylamino)ethylidene)22dimethyl46dioxocyclohexanecarboxylate
MFCD02241459
ZINC000100177396
ZINC000100177402
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