Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(2-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STK570397
SMILES CCOc1ccccc1C1/C(=C(/c2ccc(cc2)OCC(C)C)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C
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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 C28H36N2O5 MW 480.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O5/c1-6-34-23-11-8-7-10-22(23)25-24(27(32)28(33)30(25)17-9-16-29(4)5)26(31)20-12-14-21(15-13-20)35-18-19(2)3/h7-8,10-15,19,25,31H,6,9,16-18H2,1-5H3/b26-24+InChIKey
WVMLQWVYOLMCJC-SHHOIMCASA-NSynonyms
843635-24-5(4E)1(3(DIMETHYLAMINO)PROPYL)5(2ETHOXYPHENYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(2ethoxyphenyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(2ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
843635245
CCOC1=CC=CC=C1C2C(=C(C3=CC=C(C=C3)OCC(C)C)(O))C(=O)C(=O)N2CCC(NH+)(C)C
CCOc1ccccc1C1C(=C(c2ccc(cc2)OCC(C)C)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC28H36N2O5c16342311871022(23)2524(27(32)28(33)30(25)1791629(4)5)26(31)20121421(151320)351819(2)3h781015192531H691618H215H3b2624+
MFCD18245356
ZINC000009411330
ZINC000009411331
Check stock
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Check stock on Vitas-MAvailable files
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