Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STL039666
SMILES COc1cccc(c1)/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 C22H25N3O4 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O4/c1-24(2)12-5-13-25-19(15-8-10-23-11-9-15)18(21(27)22(25)28)20(26)16-6-4-7-17(14-16)29-3/h4,6-11,14,19,26H,5,12-13H2,1-3H3/b20-18+InChIKey
DAFJEQQAOVMFJF-CZIZESTLSA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)(3methoxyphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
CN(C)CCCN1C(C(=C(C2=CC(=CC=C2)OC)O)C(=O)C1=O)C3=CC=NC=C3
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccncc1)CCC(NH+)(C)C)(O)
InChI=1SC22H25N3O4c124(2)125132519(158102311915)18(21(27)22(25)28)20(26)1664717(1416)293h4611141926H51213H213H3b2018+
MFCD18247874
ZINC000102864535
ZINC000102864539
Check stock
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