Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL051170
SMILES CC1Cc2c(O1)ccc(c2)/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/c1-16(2)18-6-8-19(9-7-18)24-23(26(31)27(32)29(24)13-12-28(4)5)25(30)20-10-11-22-21(15-20)14-17(3)33-22/h6-11,15-17,24,30H,12-14H2,1-5H3/b25-23+InChIKey
DQSWCOQEVIDKDJ-WJTDDFOZSA-NSynonyms
862483-72-5(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
862483725
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)(C)C)C4=CC=C(C=C4)C(C)C)(O)
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)CC(NH+)(C)C)(O)
InChI=1SC27H32N2O4c116(2)186819(9718)2423(26(31)27(32)29(24)131228(4)5)25(30)2010112221(1520)1417(3)3322h61115172430H1214H215H3b2523+
MFCD18249377
ZINC000102735103
ZINC000102735111
Check stock
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Check stock on Vitas-MAvailable files
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