Vitas-M small molecule compound
methyl (5E)-2,2-dimethyl-5-{[(4-methylphenyl)amino]methylidene}-4,6-dioxocyclohexanecarboxylate
Catalog ID
STL334158
SMILES COC(=O)C1C(=O)/C(=C/Nc2ccc(cc2)C)/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 C18H21NO4 MW 315.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO4/c1-11-5-7-12(8-6-11)19-10-13-14(20)9-18(2,3)15(16(13)21)17(22)23-4/h5-8,10,15,19H,9H2,1-4H3/b13-10+InChIKey
YYVKYUJHAMWYSA-JLHYYAGUSA-NSynonyms
(E)methyl22dimethyl46dioxo5((ptolylamino)methylene)cyclohexanecarboxylate
CC1=CC=C(C=C1)NC=C2C(=O)CC(C(C2=O)C(=O)OC)(C)C
COC(=O)C1C(=O)C(=CNc2ccc(cc2)C)C(=O)CC1(C)C
InChI=1SC18H21NO4c1115712(8611)19101314(20)918(23)15(16(13)21)17(22)234h58101519H9H214H3b1310+
methyl(5E)22dimethyl5(((4methylphenyl)amino)methylidene)46dioxocyclohexanecarboxylate
METHYL(5E)22DIMETHYL5((4METHYLANILINO)METHYLIDENE)46DIOXOCYCLOHEXANE1CARBOXYLATE
METHYL66DIMETHYL3(((4METHYLPHENYL)AMINO)METHYLENE)24DIOXOCYCLOHEXANECARBOXYLATE
MFCD00564110
ZINC000100319015
ZINC000100319019
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