Vitas-M small molecule compound
methyl (5Z)-5-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Catalog ID
STL526746
SMILES COC(=O)C1C(=O)/C(=C\NCCc2ccc(c(c2)OC)OC)/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 C21H27NO6 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO6/c1-21(2)11-15(23)14(19(24)18(21)20(25)28-5)12-22-9-8-13-6-7-16(26-3)17(10-13)27-4/h6-7,10,12,18,22H,8-9,11H2,1-5H3/b14-12-InChIKey
KHVCOTSEDNAVFW-OWBHPGMISA-NSynonyms
(Z)methyl5(((34dimethoxyphenethyl)amino)methylene)22dimethyl46dioxocyclohexanecarboxylate
COC(=O)C1C(=O)C(=CNCCc2ccc(c(c2)OC)OC)C(=O)CC1(C)C
InChI=1SC21H27NO6c121(2)1115(23)14(19(24)18(21)20(25)285)122298136716(263)17(1013)274h6710121822H8911H215H3b1412
methyl(5Z)5(((2(34dimethoxyphenyl)ethyl)amino)methylidene)22dimethyl46dioxocyclohexanecarboxylate
MFCD00475489
ZINC000100746333
ZINC000100746334
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