Vitas-M small molecule compound

(E)-{2-(4-chlorophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STK569972
SMILES CC[NH+](CCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2)OCC(C)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 C27H33ClN2O4 MW 485.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33ClN2O4/c1-5-29(6-2)15-16-30-24(19-7-11-21(28)12-8-19)23(26(32)27(30)33)25(31)20-9-13-22(14-10-20)34-17-18(3)4/h7-14,18,24,31H,5-6,15-17H2,1-4H3/b25-23+
InChIKey
PWUNWUDYDNEPHW-WJTDDFOZSA-N
Synonyms
847049-00-7
(4E)5(4chlorophenyl)1(2(diethylamino)ethyl)4(hydroxy(4(2methylpropoxy)phenyl)methylidene)pyrrolidine23dione
(4E)5(4CHLOROPHENYL)1(2DIETHYLAMINOETHYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4chlorophenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(2(4CHLOROPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
847049007
CC(NH+)(CCN1C(c2ccc(cc2)Cl)C(=C(c2ccc(cc2)OCC(C)C)(O))C(=O)C1=O)CC
CCN(CC)CCN1C(C(=C(C2=CC=C(C=C2)OCC(C)C)O)C(=O)C1=O)C3=CC=C(C=C3)Cl
InChI=1SC27H33ClN2O4c1529(62)15163024(1971121(28)12819)23(26(32)27(30)33)25(31)2091322(141020)341718(3)4h714182431H561517H214H3b2523+
MFCD18245332
ZINC000009244315
ZINC000009244316

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Available files

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