Vitas-M small molecule compound

(E)-{1-[2-(dimethylammonio)ethyl]-2-(2-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate

Catalog ID
STK560104
SMILES CCOc1ccccc1C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OC)/[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 C25H30N2O5 MW 438.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5/c1-6-32-20-10-8-7-9-18(20)22-21(24(29)25(30)27(22)14-13-26(3)4)23(28)17-11-12-19(31-5)16(2)15-17/h7-12,15,22,28H,6,13-14H2,1-5H3/b23-21+
InChIKey
PMYVDDFDPGBYRS-XTQSDGFTSA-N
Synonyms
433326-32-0
(4E)1(2DIMETHYLAMINOETHYL)5(2ETHOXYPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(2ethoxyphenyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(2ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)5(2ETHOXYPHENYL)3HYDROXY4((4METHOXY3METHYLPHENYL)CARBONYL)3PYRROLIN2ONE
433326320
CCOC1=CC=CC=C1C2C(=C(C3=CC(=C(C=C3)OC)C)(O))C(=O)C(=O)N2CC(NH+)(C)C
CCOc1ccccc1C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OC)(O)
InChI=1SC25H30N2O5c1632201087918(20)2221(24(29)25(30)27(22)141326(3)4)23(28)17111219(315)16(2)1517h712152228H61314H215H3b2321+
MFCD18243447
ZINC000009070770
ZINC000102493094

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Available files

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