Vitas-M small molecule compound
methyl (5E)-2,2-dimethyl-4,6-dioxo-5-{[(2-phenylethyl)amino]methylidene}cyclohexanecarboxylate
Catalog ID
STK530753
SMILES COC(=O)C1C(=O)/C(=C/NCCc2ccccc2)/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 C19H23NO4 MW 329.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO4/c1-19(2)11-15(21)14(17(22)16(19)18(23)24-3)12-20-10-9-13-7-5-4-6-8-13/h4-8,12,16,20H,9-11H2,1-3H3/b14-12+InChIKey
OCLUNMZKXQGIFE-WYMLVPIESA-NSynonyms
(E)methyl22dimethyl46dioxo5((phenethylamino)methylene)cyclohexanecarboxylate
CC1(CC(=O)C(=CNCCC2=CC=CC=C2)C(=O)C1C(=O)OC)C
COC(=O)C1C(=O)C(=CNCCc2ccccc2)C(=O)CC1(C)C
InChI=1SC19H23NO4c119(2)1115(21)14(17(22)16(19)18(23)243)1220109137546813h48121620H911H213H3b1412+
methyl(5E)22dimethyl46dioxo5(((2phenylethyl)amino)methylidene)cyclohexanecarboxylate
methyl(5E)22dimethyl46dioxo5((2phenylethylamino)methylidene)cyclohexane1carboxylate
METHYL(5E)22DIMETHYL46DIOXO5((PHENETHYLAMINO)METHYLIDENE)CYCLOHEXANE1CARBOXYLATE
MFCD00564105
ZINC000100318982
ZINC000100318986
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