Vitas-M small molecule compound
methyl (5E)-5-{1-[(2-hydroxyethyl)amino]pentylidene}-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Catalog ID
STL563373
SMILES CCCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/NCCO
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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 C17H27NO5 MW 325.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H27NO5/c1-5-6-7-11(18-8-9-19)13-12(20)10-17(2,3)14(15(13)21)16(22)23-4/h14,18-19H,5-10H2,1-4H3/b13-11+InChIKey
LTGQHKYQXQHWLB-ACCUITESSA-NSynonyms
(E)methyl5(1((2hydroxyethyl)amino)pentylidene)22dimethyl46dioxocyclohexanecarboxylate
CCCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)NCCO
methyl(5E)5(1((2hydroxyethyl)amino)pentylidene)22dimethyl46dioxocyclohexanecarboxylate
ZINC000100164126
ZINC000100164131
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