Vitas-M small molecule compound
(E)-(4-chlorophenyl){2-(3,4-diethoxyphenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL037111
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CC[NH+](CC)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 C27H33ClN2O5 MW 501.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33ClN2O5/c1-5-29(6-2)15-16-30-24(19-11-14-21(34-7-3)22(17-19)35-8-4)23(26(32)27(30)33)25(31)18-9-12-20(28)13-10-18/h9-14,17,24,31H,5-8,15-16H2,1-4H3/b25-23+InChIKey
IFJKTDQKEVPTCN-WJTDDFOZSA-NSynonyms
620135-49-1(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(34DIETHOXYPHENYL)1(2DIETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(2(34diethoxyphenyl)1(2(diethylammonio)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(2(34DIETHOXYPHENYL)1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
620135491
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)Cl)(O))C(=O)C1=O)C3=CC(=C(C=C3)OCC)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC27H33ClN2O5c1529(62)15163024(19111421(3473)22(1719)3584)23(26(32)27(30)33)25(31)1891220(28)131018h914172431H581516H214H3b2523+
MFCD18247364
ZINC000102856403
ZINC000102856406
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.