Vitas-M small molecule compound
methyl (5E)-5-{1-[(4-bromophenyl)amino]butylidene}-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Catalog ID
STK805890
SMILES CCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/Nc1ccc(cc1)Br
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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 C20H24BrNO4 MW 422.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24BrNO4/c1-5-6-14(22-13-9-7-12(21)8-10-13)16-15(23)11-20(2,3)17(18(16)24)19(25)26-4/h7-10,17,22H,5-6,11H2,1-4H3/b16-14+InChIKey
UKDJPIJTVLYLOU-JQIJEIRASA-NSynonyms
(Z)methyl5(1((4bromophenyl)amino)butylidene)22dimethyl46dioxocyclohexanecarboxylate
CCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)Nc1ccc(cc1)Br
CCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=C(C=C2)Br
InChI=1SC20H24BrNO4c15614(22139712(21)81013)1615(23)1120(23)17(18(16)24)19(25)264h7101722H5611H214H3b1614+
methyl(5E)5(1((4bromophenyl)amino)butylidene)22dimethyl46dioxocyclohexanecarboxylate
METHYL(5E)5(1(4BROMOANILINO)BUTYLIDENE)22DIMETHYL46DIOXOCYCLOHEXANE1CARBOXYLATE
MFCD01129947
ZINC000100162975
ZINC000100162980
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