Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STK559553
SMILES CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CC[NH+](C)C)/[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 C26H31FN2O4 MW 454.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31FN2O4/c1-16(2)15-33-21-11-8-19(14-17(21)3)24(30)22-23(18-6-9-20(27)10-7-18)29(13-12-28(4)5)26(32)25(22)31/h6-11,14,16,23,30H,12-13,15H2,1-5H3/b24-22+InChIKey
MVPSTNDPPXDKRO-ZNTNEXAZSA-NSynonyms
(4E)1(2DIMETHYLAMINOETHYL)5(4FLUOROPHENYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(4fluorophenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
CC(COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CC(NH+)(C)C)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=C(C=C3)F)(O))OCC(C)C
InChI=1SC26H31FN2O4c116(2)15332111819(1417(21)3)24(30)2223(186920(27)10718)29(131228(4)5)26(32)25(22)31h61114162330H121315H215H3b2422+
MFCD18243301
ZINC000102175330
ZINC000102175333
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.