Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3,4-dimethoxyphenyl)methanolate
Catalog ID
STK560249
SMILES COc1ccc(cc1OC)/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 C30H38N2O6 MW 522.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O6/c1-30(2,3)22-10-7-20(8-11-22)26-25(27(33)21-9-12-23(36-4)24(19-21)37-5)28(34)29(35)32(26)14-6-13-31-15-17-38-18-16-31/h7-12,19,26,33H,6,13-18H2,1-5H3/b27-25+InChIKey
UFQBEMSKLFBSNA-IMVLJIQESA-NSynonyms
636992-19-3(4E)5(4TERTBUTYLPHENYL)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(34dimethoxyphenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(34DIMETHOXYPHENYL)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)5(4(TERTBUTYL)PHENYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
636992193
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)OC)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC(NH+)1CCOCC1)(O)
InChI=1SC30H38N2O6c130(23)2210720(81122)2625(27(33)2191223(364)24(1921)375)28(34)29(35)32(26)1461331151738181631h712192633H61318H215H3b2725+
MFCD18243485
ZINC000102494349
ZINC000102494360
Check stock
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Check stock on Vitas-MAvailable files
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