Vitas-M small molecule compound
(E)-[1-(3-methoxypropyl)-4,5-dioxo-2-(pyridinium-4-yl)pyrrolidin-3-ylidene][2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL528338
SMILES COCCCN1C(c2cc[nH+]cc2)/C(=C(/c2ccc(cc2C)OCC(C)C)\[O-])/C(=O)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 C25H30N2O5 MW 438.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O5/c1-16(2)15-32-19-6-7-20(17(3)14-19)23(28)21-22(18-8-10-26-11-9-18)27(12-5-13-31-4)25(30)24(21)29/h6-11,14,16,22,28H,5,12-13,15H2,1-4H3/b23-21+InChIKey
QXJDVAMECRCRSW-XTQSDGFTSA-NSynonyms
433260-47-0(~(E))(1(3methoxypropyl)45dioxo2pyridin1ium4ylpyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3methoxypropyl)45dioxo2(pyridinium4yl)pyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3METHOXYPROPYL)45DIOXO2PYRIDIN1IUM4YLPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
433260470
5836009
InChI=1SC25H30N2O5c116(2)1532196720(17(3)1419)23(28)2122(188102611918)27(12513314)25(30)24(21)29h61114162228H5121315H214H3b2321+
MFCD31753851
ZINC000103880109
ZINC000103880116
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