Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-ethylphenyl)-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL038026
SMILES CCc1ccc(cc1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)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 C29H38N2O4 MW 478.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O4/c1-7-21-9-11-22(12-10-21)26-25(28(33)29(34)31(26)16-8-15-30(5)6)27(32)24-14-13-23(17-20(24)4)35-18-19(2)3/h9-14,17,19,26,32H,7-8,15-16,18H2,1-6H3/b27-25+InChIKey
PVBDVYLRCKASQR-IMVLJIQESA-NSynonyms
489398-77-8(4E)1(3(DIMETHYLAMINO)PROPYL)5(4ETHYLPHENYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4ethylphenyl)45dioxopyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4ETHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
489398778
CCC1=CC=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OCC(C)C)C)O)C(=O)C(=O)N2CCCN(C)C
CCc1ccc(cc1)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1C)OCC(C)C)(O)
InChI=1SC29H38N2O4c172191122(121021)2625(28(33)29(34)31(26)1681530(5)6)27(32)24141323(1720(24)4)351819(2)3h91417192632H78151618H216H3b2725+
MFCD18247539
ZINC000102859423
ZINC000102859432
Check stock
See real-time availability and sample size for STL038026 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.