Vitas-M small molecule compound
(E)-{2-(4-ethylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL052931
SMILES CCc1ccc(cc1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)C)/[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/c1-4-21-6-8-22(9-7-21)26-25(27(32)23-10-12-24(13-11-23)36-20(2)3)28(33)29(34)31(26)15-5-14-30-16-18-35-19-17-30/h6-13,20,26,32H,4-5,14-19H2,1-3H3/b27-25+InChIKey
KMMMVCQGFAWLHE-IMVLJIQESA-NSynonyms
848671-97-6(4E)5(4ETHYLPHENYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4ethylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(2(4ethylphenyl)1(3morpholin4ium4ylpropyl)45dioxopyrrolidin3ylidene)(4propan2yloxyphenyl)methanolate
848671976
CCC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC(C)C)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
CCc1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1)OC(C)C)(O)
InChI=1SC29H36N2O5c14216822(9721)2625(27(32)23101224(131123)3620(2)3)28(33)29(34)31(26)1551430161835191730h613202632H451419H213H3b2725+
MFCD07208031
ZINC000102890686
ZINC000102890687
Check stock
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Check stock on Vitas-MAvailable files
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