Vitas-M small molecule compound
methyl (5Z)-2,2-dimethyl-5-[(naphthalen-1-ylamino)methylidene]-4,6-dioxocyclohexanecarboxylate
Catalog ID
STL328786
SMILES COC(=O)C1C(=O)/C(=C\Nc2cccc3c2cccc3)/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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-21(2)11-17(23)15(19(24)18(21)20(25)26-3)12-22-16-10-6-8-13-7-4-5-9-14(13)16/h4-10,12,18,22H,11H2,1-3H3/b15-12-InChIKey
HEEBOADDVYUCLV-QINSGFPZSA-NSynonyms
(Z)methyl22dimethyl5((naphthalen1ylamino)methylene)46dioxocyclohexanecarboxylate
CC1(CC(=O)C(=CNC2=CC=CC3=CC=CC=C32)C(=O)C1C(=O)OC)C
COC(=O)C1C(=O)C(=CNc2cccc3c2cccc3)C(=O)CC1(C)C
InChI=1SC21H21NO4c121(2)1117(23)15(19(24)18(21)20(25)263)122216106813745914(13)16h410121822H11H213H3b1512
METHYL(5Z)22DIMETHYL5((NAPHTHALEN1YLAMINO)METHYLIDENE)46DIOXOCYCLOHEXANE1CARBOXYLATE
methyl(5Z)22dimethyl5((naphthalen1ylamino)methylidene)46dioxocyclohexanecarboxylate
MFCD00512955
ZINC000100738699
ZINC000100738700
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