Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK565075
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)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 C27H34N2O5S MW 498.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O5S/c1-3-4-14-34-21-9-8-20(18-19(21)2)25(30)23-24(22-7-5-17-35-22)29(27(32)26(23)31)11-6-10-28-12-15-33-16-13-28/h5,7-9,17-18,24,30H,3-4,6,10-16H2,1-2H3/b25-23+InChIKey
CNLOYBMAHYKVMV-WJTDDFOZSA-NSynonyms
433309-62-7(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
433309627
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=CS4)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccs1)CCC(NH+)1CCOCC1)(O)
InChI=1SC27H34N2O5Sc1341434219820(1819(21)2)25(30)2324(2275173522)29(27(32)26(23)31)1161028121533161328h57917182430H3461016H212H3b2523+
MFCD18244686
ZINC000102532478
ZINC000102532485
Check stock
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Check stock on Vitas-MAvailable files
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