Vitas-M small molecule compound
(E)-{2-(2,4-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK568316
SMILES COc1cc(OC)ccc1C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)C)/[O-]
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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 C27H34N2O6 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O6/c1-17(2)35-19-10-8-18(9-11-19)25(30)23-24(21-13-12-20(33-5)16-22(21)34-6)29(27(32)26(23)31)15-7-14-28(3)4/h8-13,16-17,24,30H,7,14-15H2,1-6H3/b25-23+InChIKey
ZNTDAWHEGHLXJZ-WJTDDFOZSA-NSynonyms
847366-48-7(4E)5(24DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(24dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(2(24DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
847366487
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=C(C=C(C=C3)OC)OC)(O)
COc1cc(OC)ccc1C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OC(C)C)(O)
InChI=1SC27H34N2O6c117(2)351910818(91119)25(30)2324(21131220(335)1622(21)346)29(27(32)26(23)31)1571428(3)4h81316172430H71415H216H3b2523+
MFCD18245223
ZINC000102551655
ZINC000102551663
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.