Vitas-M small molecule compound

(E)-(4-butoxyphenyl){1-[3-(dimethylammonio)propyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK568112
SMILES CCCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1OC)CCC[NH+](C)C)/[O-]

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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 C27H34N2O5 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O5/c1-5-6-18-34-20-14-12-19(13-15-20)25(30)23-24(21-10-7-8-11-22(21)33-4)29(27(32)26(23)31)17-9-16-28(2)3/h7-8,10-15,24,30H,5-6,9,16-18H2,1-4H3/b25-23+
InChIKey
DXIQJOSTDUNABA-WJTDDFOZSA-N
Synonyms
842958-69-4
(4E)4((4BUTOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(2METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(4butoxyphenyl)(1(3(dimethylammonio)propyl)2(2methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(2METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
842958694
CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=CC=C3OC)(O)
CCCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1OC)CCC(NH+)(C)C)(O)
InChI=1SC27H34N2O5c156183420141219(131520)25(30)2324(2110781122(21)334)29(27(32)26(23)31)1791628(2)3h7810152430H5691618H214H3b2523+
MFCD18245204
ZINC000102550731
ZINC000102550737

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Available files

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