Vitas-M small molecule compound
methyl (5E)-5-{[(2-methoxyphenyl)amino]methylidene}-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Catalog ID
STL334661
SMILES COC(=O)C1C(=O)/C(=C/Nc2ccccc2OC)/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)9-13(20)11(16(21)15(18)17(22)24-4)10-19-12-7-5-6-8-14(12)23-3/h5-8,10,15,19H,9H2,1-4H3/b11-10+InChIKey
KIWNOSNYBRBEMS-ZHACJKMWSA-NSynonyms
(E)methyl5(((2methoxyphenyl)amino)methylene)22dimethyl46dioxocyclohexanecarboxylate
CC1(CC(=O)C(=CNC2=CC=CC=C2OC)C(=O)C1C(=O)OC)C
COC(=O)C1C(=O)C(=CNc2ccccc2OC)C(=O)CC1(C)C
InChI=1SC18H21NO5c118(2)913(20)11(16(21)15(18)17(22)244)101912756814(12)233h58101519H9H214H3b1110+
methyl(5E)5(((2methoxyphenyl)amino)methylidene)22dimethyl46dioxocyclohexanecarboxylate
METHYL(5E)5((2METHOXYANILINO)METHYLIDENE)22DIMETHYL46DIOXOCYCLOHEXANE1CARBOXYLATE
MFCD00564099
ZINC000100318933
ZINC000100318939
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