Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl)[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL040158
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)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 C29H30N2O4 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O4/c1-4-5-15-35-24-13-12-23(16-20(24)3)27(32)25-26(22-10-8-19(2)9-11-22)31(29(34)28(25)33)18-21-7-6-14-30-17-21/h6-14,16-17,26,32H,4-5,15,18H2,1-3H3/b27-25+InChIKey
FNKUMNDWIHDRDW-IMVLJIQESA-NSynonyms
(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(4METHYLPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4BUTOXY3METHYLPHENYL)(2(4METHYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4butoxy3methylphenyl)(2(4methylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
4(4BUTOXY3METHYLBENZOYL)3HYDROXY5(4METHYLPHENYL)1(PYRIDIN3YLMETHYL)15DIHYDRO2HPYRROL2ONE
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)Cc1ccc(nH+)c1)(O)
InChI=1SC29H30N2O4c145153524131223(1620(24)3)27(32)2526(2210819(2)91122)31(29(34)28(25)33)18217614301721h61416172632H451518H213H3b2725+
MFCD18247964
ZINC000102865446
ZINC000102865449
Check stock
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Check stock on Vitas-MAvailable files
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