Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl)[1-(3-methoxypropyl)-4,5-dioxo-2-(pyridinium-3-yl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL528341
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc[nH+]c1)CCCOC)/[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/c1-4-5-14-32-20-10-9-18(15-17(20)2)23(28)21-22(19-8-6-11-26-16-19)27(12-7-13-31-3)25(30)24(21)29/h6,8-11,15-16,22,28H,4-5,7,12-14H2,1-3H3/b23-21+InChIKey
QVNXBFLDVXHPOT-XTQSDGFTSA-NSynonyms
459793-99-8(~(E))(4butoxy3methylphenyl)(1(3methoxypropyl)45dioxo2pyridin1ium3ylpyrrolidin3ylidene)methanolate
(E)(4butoxy3methylphenyl)(1(3methoxypropyl)45dioxo2(pyridinium3yl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(3METHOXYPROPYL)45DIOXO2PYRIDIN1IUM3YLPYRROLIDIN3YLIDENE)METHANOLATE
459793998
6067008
InChI=1SC25H30N2O5c14514322010918(1517(20)2)23(28)2122(198611261619)27(12713313)25(30)24(21)29h681115162228H4571214H213H3b2321+
MFCD31753852
ZINC000103143813
ZINC000103143816
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