Vitas-M small molecule compound
(E)-(4-butoxy-2-methylphenyl){2-(4-methylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL149443
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)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 C30H38N2O5 MW 506.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O5/c1-4-5-17-37-24-11-12-25(22(3)20-24)28(33)26-27(23-9-7-21(2)8-10-23)32(30(35)29(26)34)14-6-13-31-15-18-36-19-16-31/h7-12,20,27,33H,4-6,13-19H2,1-3H3/b28-26+InChIKey
LNZCJTBOHCXMQQ-BYCLXTJYSA-NSynonyms
497075-62-4(4E)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)5(4METHYLPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(4butoxy2methylphenyl)(2(4methylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY2METHYLPHENYL)(2(4METHYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4(4BUTOXY2METHYLBENZOYL)3HYDROXY5(4METHYLPHENYL)1(3MORPHOLIN4YLPROPYL)15DIHYDRO2HPYRROL2ONE
497075624
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=C(C=C4)C)(O))C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCC(NH+)1CCOCC1)(O)
InChI=1SC30H38N2O5c145173724111225(22(3)2024)28(33)2627(239721(2)81023)32(30(35)29(26)34)1461331151836191631h712202733H461319H213H3b2826+
MFCD20755609
ZINC000102928338
ZINC000102928340
Check stock
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Check stock on Vitas-MAvailable files
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