Vitas-M small molecule compound
(E)-[1-(3-methoxypropyl)-4,5-dioxo-2-(pyridinium-3-yl)pyrrolidin-3-ylidene][3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL528611
SMILES COCCCN1C(c2ccc[nH+]c2)/C(=C(/c2ccc(c(c2)C)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)15-32-20-9-8-18(13-17(20)3)23(28)21-22(19-7-5-10-26-14-19)27(11-6-12-31-4)25(30)24(21)29/h5,7-10,13-14,16,22,28H,6,11-12,15H2,1-4H3/b23-21+InChIKey
MDBCOTRITFPCBE-XTQSDGFTSA-NSynonyms
460046-36-0(~(E))(1(3methoxypropyl)45dioxo2pyridin1ium3ylpyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3methoxypropyl)45dioxo2(pyridinium3yl)pyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3METHOXYPROPYL)45DIOXO2PYRIDIN1IUM3YLPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
460046360
6066203
InChI=1SC25H30N2O5c116(2)1532209818(1317(20)3)23(28)2122(197510261419)27(11612314)25(30)24(21)29h57101314162228H6111215H214H3b2321+
MFCD31753888
ZINC000103978688
ZINC000103978694
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