Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL150053
SMILES CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CCC[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 C25H27FN2O4 MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN2O4/c1-15-13-17-14-16(9-10-20(17)32-15)23(29)21-22(18-7-4-5-8-19(18)26)28(25(31)24(21)30)12-6-11-27(2)3/h4-5,7-10,14-15,22,29H,6,11-13H2,1-3H3/b23-21+InChIKey
MHEYQQHXVLVCBM-XTQSDGFTSA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)5(2FLUOROPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(2fluorophenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(2FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)(C)C)C4=CC=CC=C4F)(O)
CC1Cc2c(O1)ccc(c2)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CCC(NH+)(C)C)(O)
InChI=1SC25H27FN2O4c11513171416(91020(17)3215)23(29)2122(18745819(18)26)28(25(31)24(21)30)1261127(2)3h4571014152229H61113H213H3b2321+
MFCD20755732
ZINC000102735335
ZINC000102735342
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.