Vitas-M small molecule compound
(E)-{2-(4-fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL045868
SMILES CC(COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)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 C29H35FN2O5 MW 510.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35FN2O5/c1-19(2)18-37-23-9-10-24(20(3)17-23)27(33)25-26(21-5-7-22(30)8-6-21)32(29(35)28(25)34)12-4-11-31-13-15-36-16-14-31/h5-10,17,19,26,33H,4,11-16,18H2,1-3H3/b27-25+InChIKey
SIJBBQKSBMKGES-IMVLJIQESA-NSynonyms
500279-40-3(4E)5(4FLUOROPHENYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4fluorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(2(4FLUOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
500279403
CC(COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CCC(NH+)1CCOCC1)(O))C
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)F)O
InChI=1SC29H35FN2O5c119(2)18372391024(20(3)1723)27(33)2526(215722(30)8621)32(29(35)28(25)34)1241131131536161431h51017192633H4111618H213H3b2725+
MFCD18248734
ZINC000102169020
ZINC000102169026
Check stock
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Check stock on Vitas-MAvailable files
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