Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL048558
SMILES COc1cc(ccc1O)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC(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)16-35-20-10-7-18(8-11-20)25(31)23-24(19-9-12-21(30)22(15-19)34-5)29(27(33)26(23)32)14-6-13-28(3)4/h7-12,15,17,24,30-31H,6,13-14,16H2,1-5H3/b25-23+InChIKey
JYKBJCJUFBBNPU-WJTDDFOZSA-NSynonyms
843670-00-8(4E)1(3(DIMETHYLAMINO)PROPYL)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
843670008
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=C(C=C3)O)OC)(O)
COc1cc(ccc1O)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OCC(C)C)(O)
InChI=1SC27H34N2O6c117(2)16352010718(81120)25(31)2324(1991221(30)22(1519)345)29(27(33)26(23)32)1461328(3)4h7121517243031H6131416H215H3b2523+
MFCD18249204
ZINC000102884501
ZINC000102884503
Check stock
See real-time availability and sample size for STL048558 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.