Vitas-M small molecule compound

(E)-{1-butyl-2-[4-(dimethylammonio)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate

Catalog ID
STL037513
SMILES CCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/[O-])/C1c1ccc(cc1)[NH+](C)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 C24H28N2O3 MW 392.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O3/c1-5-6-15-26-21(17-11-13-19(14-12-17)25(3)4)20(23(28)24(26)29)22(27)18-9-7-16(2)8-10-18/h7-14,21,27H,5-6,15H2,1-4H3/b22-20+
InChIKey
OTNAOPIMEUTNAB-LSDHQDQOSA-N
Synonyms
371215-85-9
(4E)1butyl5(4(dimethylamino)phenyl)4(hydroxy(4methylphenyl)methylidene)pyrrolidine23dione
(4E)1BUTYL5(4DIMETHYLAMINOPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1butyl2(4(dimethylammonio)phenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(1BUTYL2(4(DIMETHYLAZANIUMYL)PHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
371215859
CCCCN1C(=O)C(=O)C(=C(c2ccc(cc2)C)(O))C1c1ccc(cc1)(NH+)(C)C
CCCCN1C(C(=C(C2=CC=C(C=C2)C)O)C(=O)C1=O)C3=CC=C(C=C3)N(C)C
InChI=1SC24H28N2O3c156152621(17111319(141217)25(3)4)20(23(28)24(26)29)22(27)189716(2)81018h7142127H5615H214H3b2220+
MFCD18247444
ZINC000102859018
ZINC000102859023

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.