Vitas-M small molecule compound
(E)-(4-ethoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL150730
SMILES CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC(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 C29H36N2O6 MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O6/c1-4-36-23-10-8-22(9-11-23)27(32)25-26(21-6-12-24(13-7-21)37-20(2)3)31(29(34)28(25)33)15-5-14-30-16-18-35-19-17-30/h6-13,20,26,32H,4-5,14-19H2,1-3H3/b27-25+InChIKey
QWSKGENOTPSIQY-IMVLJIQESA-NSynonyms
636989-16-7(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4PROPAN2YLOXYPHENYL)PYRROLIDINE23DIONE
(E)(4ethoxyphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(4(propan2yloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)(4ETHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(4PROPAN2YLOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
4((4ETHOXYPHENYL)CARBONYL)3HYDROXY5(4(METHYLETHOXY)PHENYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
636989167
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)OC(C)C)O
CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC(C)C)CCC(NH+)1CCOCC1)(O)
InChI=1SC29H36N2O6c14362310822(91123)27(32)2526(2161224(13721)3720(2)3)31(29(34)28(25)33)1551430161835191730h613202632H451419H213H3b2725+
MFCD20755896
ZINC000102931415
ZINC000102931420
Check stock
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Check stock on Vitas-MAvailable files
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