Vitas-M small molecule compound
methyl (5E)-2,2-dimethyl-4,6-dioxo-5-{1-[(2-phenylethyl)amino]propylidene}cyclohexanecarboxylate
Catalog ID
STL562592
SMILES COC(=O)C1C(=O)/C(=C(/NCCc2ccccc2)\CC)/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 C21H27NO4 MW 357.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO4/c1-5-15(22-12-11-14-9-7-6-8-10-14)17-16(23)13-21(2,3)18(19(17)24)20(25)26-4/h6-10,18,22H,5,11-13H2,1-4H3/b17-15+InChIKey
CZGNOAHDNPWEIB-BMRADRMJSA-NSynonyms
(E)methyl22dimethyl46dioxo5(1(phenethylamino)propylidene)cyclohexanecarboxylate
COC(=O)C1C(=O)C(=C(NCCc2ccccc2)CC)C(=O)CC1(C)C
methyl(5E)22dimethyl46dioxo5(1((2phenylethyl)amino)propylidene)cyclohexanecarboxylate
ZINC000100450224
ZINC000100450231
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