Vitas-M small molecule compound
methyl (5E)-5-{[(4-methoxyphenyl)amino]methylidene}-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Catalog ID
STL335486
SMILES COC(=O)C1C(=O)/C(=C/Nc2ccc(cc2)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 C18H21NO5 MW 331.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5/c1-18(2)9-14(20)13(16(21)15(18)17(22)24-4)10-19-11-5-7-12(23-3)8-6-11/h5-8,10,15,19H,9H2,1-4H3/b13-10+InChIKey
VBTRBPYMJUEVAN-JLHYYAGUSA-NSynonyms
(E)methyl5(((4methoxyphenyl)amino)methylene)22dimethyl46dioxocyclohexanecarboxylate
CC1(CC(=O)C(=CNC2=CC=C(C=C2)OC)C(=O)C1C(=O)OC)C
COC(=O)C1C(=O)C(=CNc2ccc(cc2)OC)C(=O)CC1(C)C
InChI=1SC18H21NO5c118(2)914(20)13(16(21)15(18)17(22)244)1019115712(233)8611h58101519H9H214H3b1310+
methyl(5E)5(((4methoxyphenyl)amino)methylidene)22dimethyl46dioxocyclohexanecarboxylate
METHYL(5E)5((4METHOXYANILINO)METHYLIDENE)22DIMETHYL46DIOXOCYCLOHEXANE1CARBOXYLATE
METHYL3(((4METHOXYPHENYL)AMINO)METHYLENE)66DIMETHYL24DIOXOCYCLOHEXANECARBOXYLATE
MFCD00564100
ZINC000100318943
ZINC000100318946
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