Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STK566178
SMILES CCOc1ccc(cc1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)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 C29H38N2O5 MW 494.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O5/c1-7-35-23-12-9-21(10-13-23)26-25(28(33)29(34)31(26)16-8-15-30(5)6)27(32)22-11-14-24(20(4)17-22)36-18-19(2)3/h9-14,17,19,26,32H,7-8,15-16,18H2,1-6H3/b27-25+InChIKey
CHZFVEVDGQEQLP-IMVLJIQESA-NSynonyms
488725-36-6(4E)1(3(DIMETHYLAMINO)PROPYL)5(4ETHOXYPHENYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4ethoxyphenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
488725366
CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC(C)C)C)(O))C(=O)C(=O)N2CCC(NH+)(C)C
CCOc1ccc(cc1)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCC(C)C)(O)
InChI=1SC29H38N2O5c17352312921(101323)2625(28(33)29(34)31(26)1681530(5)6)27(32)22111424(20(4)1722)361819(2)3h91417192632H78151618H216H3b2725+
MFCD18244968
ZINC000102540128
ZINC000102540133
Check stock
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Check stock on Vitas-MAvailable files
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