Vitas-M small molecule compound
(E)-{2-(4-methylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL048778
SMILES CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)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 C29H36N2O5 MW 492.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O5/c1-20(2)19-36-24-11-9-23(10-12-24)27(32)25-26(22-7-5-21(3)6-8-22)31(29(34)28(25)33)14-4-13-30-15-17-35-18-16-30/h5-12,20,26,32H,4,13-19H2,1-3H3/b27-25+InChIKey
JGQOXBXKNZWAPA-IMVLJIQESA-NSynonyms
845801-45-8(4E)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(4METHYLPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4methylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
845801458
CC(COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCC(NH+)1CCOCC1)(O))C
CC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC(C)C)O)C(=O)C(=O)N2CCCN4CCOCC4
InChI=1SC29H36N2O5c120(2)19362411923(101224)27(32)2526(227521(3)6822)31(29(34)28(25)33)1441330151735181630h512202632H41319H213H3b2725+
MFCD07210524
ZINC000102169774
ZINC000102169780
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