Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL044078
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)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 C33H44N2O5 MW 548.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N2O5/c1-6-7-19-40-27-14-11-25(22-23(27)2)30(36)28-29(24-9-12-26(13-10-24)33(3,4)5)35(32(38)31(28)37)16-8-15-34-17-20-39-21-18-34/h9-14,22,29,36H,6-8,15-21H2,1-5H3/b30-28+InChIKey
PWWOIDQTPBRTJY-SJCQXOIGSA-NSynonyms
488795-16-0(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(4TERTBUTYLPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(2(4tertbutylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(2(4TERTBUTYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
488795160
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=C(C=C4)C(C)(C)C)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC(NH+)1CCOCC1)(O)
InChI=1SC33H44N2O5c167194027141125(2223(27)2)30(36)2829(2491226(131024)33(34)5)35(32(38)31(28)37)1681534172039211834h914222936H681521H215H3b3028+
MFCD18248343
ZINC000102874616
ZINC000102874619
Check stock
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Check stock on Vitas-MAvailable files
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