Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL045793
SMILES CC[NH+](CCCN1C(c2ccc(cc2)F)/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C1=O)CC
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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 C27H31FN2O4 MW 466.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31FN2O4/c1-4-29(5-2)13-6-14-30-24(18-7-10-21(28)11-8-18)23(26(32)27(30)33)25(31)19-9-12-22-20(16-19)15-17(3)34-22/h7-12,16-17,24,31H,4-6,13-15H2,1-3H3/b25-23+InChIKey
AVKSHEGEFKLOLC-WJTDDFOZSA-NSynonyms
(4E)1(3(DIETHYLAMINO)PROPYL)5(4FLUOROPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(4fluorophenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CC(NH+)(CCCN1C(c2ccc(cc2)F)C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C1=O)CC
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)O)C(=O)C1=O)C4=CC=C(C=C4)F
InChI=1SC27H31FN2O4c1429(52)136143024(1871021(28)11818)23(26(32)27(30)33)25(31)199122220(1619)1517(3)3422h71216172431H461315H213H3b2523+
MFCD18248711
ZINC000102878539
ZINC000102878548
Check stock
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Check stock on Vitas-MAvailable files
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