Vitas-M small molecule compound

(E)-(3,4-dimethoxyphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STK565380
SMILES COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)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 C23H27N3O5 MW 425.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O5/c1-25(2)12-5-13-26-20(15-8-10-24-11-9-15)19(22(28)23(26)29)21(27)16-6-7-17(30-3)18(14-16)31-4/h6-11,14,20,27H,5,12-13H2,1-4H3/b21-19+
InChIKey
AYIGDRBDFIOULK-XUTLUUPISA-N
Synonyms
615271-48-2
(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(1(3(dimethylammonio)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(4PYRIDYL)3PYRROLIN2ONE
4(34DIMETHOXYBENZOYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(4PYRIDINYL)15DIHYDRO2HPYRROL2ONE
615271482
CN(C)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)OC)O)C(=O)C1=O)C3=CC=NC=C3
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)(C)C)(O)
InChI=1SC23H27N3O5c125(2)125132620(158102411915)19(22(28)23(26)29)21(27)166717(303)18(1416)314h611142027H51213H214H3b2119+
MFCD18244767
ZINC000005489575
ZINC000005489584

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Available files

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