Vitas-M small molecule compound
methyl (5E)-2,2-dimethyl-4,6-dioxo-5-[1-(pyrrolidin-1-yl)butylidene]cyclohexanecarboxylate
Catalog ID
STL564388
SMILES CCC/C(=C\1/C(=O)CC(C(C1=O)C(=O)OC)(C)C)/N1CCCC1
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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 C18H27NO4 MW 321.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27NO4/c1-5-8-12(19-9-6-7-10-19)14-13(20)11-18(2,3)15(16(14)21)17(22)23-4/h15H,5-11H2,1-4H3/b14-12+InChIKey
LBSAEAGBGMLRHJ-WYMLVPIESA-NSynonyms
1164505-72-9(E)METHYL22DIMETHYL46DIOXO5(1(PYRROLIDIN1YL)BUTYLIDENE)CYCLOHEXANECARBOXYLATE
1164505729
2834742
CCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)N1CCCC1
InChI=1SC18H27NO4c15812(199671019)1413(20)1118(23)15(16(14)21)17(22)234h15H511H214H3b1412+
methyl(5E)22dimethyl46dioxo5(1(pyrrolidin1yl)butylidene)cyclohexanecarboxylate
methyl(5E)22dimethyl46dioxo5(1pyrrolidin1ylbutylidene)cyclohexane1carboxylate
METHYL22DIMETHYL46DIOXO5(1(1PYRROLIDINYL)BUTYLIDENE)CYCLOHEXANECARBOXYLATE
METHYL66DIMETHYL24DIOXO3(PYRROLIDINYLBUTYLIDENE)CYCLOHEXANECARBOXYLATE
ZINC000000234635
ZINC000000234642
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