Vitas-M small molecule compound

(E)-(4-butoxy-3-methylphenyl){2-(4-chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STL038294
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)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 C29H35ClN2O5 MW 527.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35ClN2O5/c1-3-4-16-37-24-11-8-22(19-20(24)2)27(33)25-26(21-6-9-23(30)10-7-21)32(29(35)28(25)34)13-5-12-31-14-17-36-18-15-31/h6-11,19,26,33H,3-5,12-18H2,1-2H3/b27-25+
InChIKey
DUEXNGUJYZTVOF-IMVLJIQESA-N
Synonyms
488842-12-2
(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(4CHLOROPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(2(4chlorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(2(4CHLOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
488842122
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=C(C=C4)Cl)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Cl)CCC(NH+)1CCOCC1)(O)
InChI=1SC29H35ClN2O5c13416372411822(1920(24)2)27(33)2526(216923(30)10721)32(29(35)28(25)34)1351231141736181531h611192633H351218H212H3b2725+
MFCD18247595
ZINC000102861590
ZINC000102861595

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.