Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STL147622
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OCCC)CC[NH+](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 C27H34N2O5 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O5/c1-5-17-33-21-11-7-19(8-12-21)24-23(26(31)27(32)29(24)16-15-28(3)4)25(30)20-9-13-22(14-10-20)34-18-6-2/h7-14,24,30H,5-6,15-18H2,1-4H3/b25-23+InChIKey
CUNNLRAUHCZRDZ-WJTDDFOZSA-NSynonyms
615271-12-0(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)3HYDROXY5(4PROPOXYPHENYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615271120
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCCC)(O))C(=O)C(=O)N2CC(NH+)(C)C
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OCCC)CC(NH+)(C)C)(O)
InChI=1SC27H34N2O5c1517332111719(81221)2423(26(31)27(32)29(24)161528(3)4)25(30)2091322(141020)341862h7142430H561518H214H3b2523+
MFCD20755234
ZINC000008902722
ZINC000102925004
Check stock
See real-time availability and sample size for STL147622 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.