Vitas-M small molecule compound
(E)-{2-(4-chlorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL051776
SMILES CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)CC[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 C27H31ClN2O5 MW 499.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClN2O5/c1-18(2)17-35-22-9-5-20(6-10-22)25(31)23-24(19-3-7-21(28)8-4-19)30(27(33)26(23)32)12-11-29-13-15-34-16-14-29/h3-10,18,24,31H,11-17H2,1-2H3/b25-23+InChIKey
MUSXEZTXVZEYJE-WJTDDFOZSA-NSynonyms
(4E)5(4CHLOROPHENYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4chlorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(2(4CHLOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC=C(C=C4)Cl)(O)
CC(COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CC(NH+)1CCOCC1)(O))C
InChI=1SC27H31ClN2O5c118(2)1735229520(61022)25(31)2324(193721(28)8419)30(27(33)26(23)32)121129131534161429h310182431H1117H212H3b2523+
MFCD18249421
ZINC000102169856
ZINC000102169864
Check stock
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Check stock on Vitas-MAvailable files
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