Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Catalog ID
STL149401
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CCC[NH+]1CCOCC1)/[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 C29H36N2O5 MW 492.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O5/c1-3-4-17-36-24-12-11-23(20-21(24)2)27(32)25-26(22-9-6-5-7-10-22)31(29(34)28(25)33)14-8-13-30-15-18-35-19-16-30/h5-7,9-12,20,26,32H,3-4,8,13-19H2,1-2H3/b27-25+InChIKey
QNLZKKMHJNYIIV-IMVLJIQESA-NSynonyms
433262-13-6(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5PHENYLPYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2phenylpyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHANOLATE
433262136
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccccc1)CCC(NH+)1CCOCC1)(O)
InChI=1SC29H36N2O5c134173624121123(2021(24)2)27(32)2526(2296571022)31(29(34)28(25)33)1481330151835191630h57912202632H3481319H212H3b2725+
MFCD20755599
ZINC000102929050
ZINC000102929053
Check stock
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Check stock on Vitas-MAvailable files
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