Vitas-M small molecule compound
(E)-(4-methoxy-2-methylphenyl)[1-(3-methoxypropyl)-4,5-dioxo-2-(pyridinium-4-yl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL528256
SMILES COCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2C)OC)/[O-])/C1c1cc[nH+]cc1
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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 C22H24N2O5 MW 396.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5/c1-14-13-16(29-3)5-6-17(14)20(25)18-19(15-7-9-23-10-8-15)24(11-4-12-28-2)22(27)21(18)26/h5-10,13,19,25H,4,11-12H2,1-3H3/b20-18+InChIKey
VLEKKJFVRQIODA-CZIZESTLSA-NSynonyms
(~(E))(4methoxy2methylphenyl)(1(3methoxypropyl)45dioxo2pyridin1ium4ylpyrrolidin3ylidene)methanolate
(E)(4methoxy2methylphenyl)(1(3methoxypropyl)45dioxo2(pyridinium4yl)pyrrolidin3ylidene)methanolate
(E)(4METHOXY2METHYLPHENYL)(1(3METHOXYPROPYL)45DIOXO2PYRIDIN1IUM4YLPYRROLIDIN3YLIDENE)METHANOLATE
5963811
InChI=1SC22H24N2O5c1141316(293)5617(14)20(25)1819(15792310815)24(11412282)22(27)21(18)26h510131925H41112H213H3b2018+
MFCD31753837
ZINC000103984388
ZINC000103984391
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