Vitas-M small molecule compound
(E)-[2-(furan-2-yl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](3-methoxyphenyl)methanolate
Catalog ID
STK562983
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)Cc1ccc[nH+]c1)/[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 C22H18N2O5 MW 390.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O5/c1-28-16-7-2-6-15(11-16)20(25)18-19(17-8-4-10-29-17)24(22(27)21(18)26)13-14-5-3-9-23-12-14/h2-12,19,25H,13H2,1H3/b20-18+InChIKey
MLSFESWZALIOAE-CZIZESTLSA-NSynonyms
609312-78-9(4E)5(FURAN2YL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(FURAN2YL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
(E)(2(furan2yl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(3methoxyphenyl)methanolate
609312789
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=CO4)(O)
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccco1)Cc1ccc(nH+)c1)(O)
InChI=1SC22H18N2O5c1281672615(1116)20(25)1819(1784102917)24(22(27)21(18)26)1314539231214h2121925H13H21H3b2018+
MFCD18244172
ZINC000102516802
ZINC000102516808
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