Vitas-M small molecule compound
(E)-{2-(2,3-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL051610
SMILES COc1c(OC)cccc1C1N(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)35-19-13-11-18(12-14-19)24(30)22-23(20-9-7-10-21(33-5)26(20)34-6)29(27(32)25(22)31)16-8-15-28(3)4/h7,9-14,17,23,30H,8,15-16H2,1-6H3/b24-22+InChIKey
WXHBRUHCHLGIFJ-ZNTNEXAZSA-NSynonyms
847247-85-2(4E)5(23DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(23dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(2(23DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
847247852
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=C(C(=CC=C3)OC)OC)(O)
COc1c(OC)cccc1C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OC(C)C)(O)
InChI=1SC27H34N2O6c117(2)3519131118(121419)24(30)2223(20971021(335)26(20)346)29(27(32)25(22)31)1681528(3)4h7914172330H81516H216H3b2422+
MFCD18249413
ZINC000102888670
ZINC000102888672
Check stock
See real-time availability and sample size for STL051610 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.