Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STK565391
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)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 C27H32N2O4 MW 448.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O4/c1-6-17-33-22-13-11-21(12-14-22)25(30)23-24(20-9-7-19(8-10-20)18(2)3)29(16-15-28(4)5)27(32)26(23)31/h6-14,18,24,30H,1,15-17H2,2-5H3/b25-23+InChIKey
CJXKPDKXVFPYDA-WJTDDFOZSA-NSynonyms
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
4(4(ALLYLOXY)BENZOYL)1(2(DIMETHYLAMINO)ETHYL)3HYDROXY5(4ISOPROPYLPHENYL)15DIHYDRO2HPYRROL2ONE
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CC(NH+)(C)C)(O)
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)(O))C(=O)C(=O)N2CC(NH+)(C)C
InChI=1SC27H32N2O4c16173322131121(121422)25(30)2324(209719(81020)18(2)3)29(161528(4)5)27(32)26(23)31h614182430H11517H225H3b2523+
MFCD18244770
ZINC000008920224
ZINC000008920227
Check stock
See real-time availability and sample size for STK565391 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.