Vitas-M small molecule compound
(E)-{2-(3,4-dichlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL047118
SMILES CC(COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CCC[NH+]1CCOCC1)/[O-])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 C29H34Cl2N2O5 MW 561.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34Cl2N2O5/c1-18(2)17-38-21-6-7-22(19(3)15-21)27(34)25-26(20-5-8-23(30)24(31)16-20)33(29(36)28(25)35)10-4-9-32-11-13-37-14-12-32/h5-8,15-16,18,26,34H,4,9-14,17H2,1-3H3/b27-25+InChIKey
UKLVMUDCRJDTDT-IMVLJIQESA-NSynonyms
(4E)5(34DICHLOROPHENYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34dichlorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(2(34DICHLOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
CC(COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CCC(NH+)1CCOCC1)(O))C
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=C(C=C4)Cl)Cl)(O)
InChI=1SC29H34Cl2N2O5c118(2)1738216722(19(3)1521)27(34)2526(205823(30)24(31)1620)33(29(36)28(25)35)104932111337141232h581516182634H491417H213H3b2725+
MFCD18248997
ZINC000102168829
ZINC000102168833
Check stock
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Check stock on Vitas-MAvailable files
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