Vitas-M small molecule compound
methyl (5E)-5-[(heptylamino)methylidene]-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Catalog ID
STK530054
SMILES CCCCCCCN/C=C/1\C(=O)CC(C(C1=O)C(=O)OC)(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 C18H29NO4 MW 323.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H29NO4/c1-5-6-7-8-9-10-19-12-13-14(20)11-18(2,3)15(16(13)21)17(22)23-4/h12,15,19H,5-11H2,1-4H3/b13-12+InChIKey
NTUPMJQQVZZXDZ-OUKQBFOZSA-NSynonyms
(E)methyl5((heptylamino)methylene)22dimethyl46dioxocyclohexanecarboxylate
CCCCCCCNC=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C
InChI=1SC18H29NO4c1567891019121314(20)1118(23)15(16(13)21)17(22)234h121519H511H214H3b1312+
METHYL(5E)5((HEPTYLAMINO)METHYLIDENE)22DIMETHYL46DIOXOCYCLOHEXANE1CARBOXYLATE
methyl(5E)5((heptylamino)methylidene)22dimethyl46dioxocyclohexanecarboxylate
MFCD00564094
ZINC000100734046
ZINC000100734050
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