Vitas-M small molecule compound
(E)-{2-(4-tert-butylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STL037215
SMILES COc1ccc(cc1C)/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 C30H38N2O5 MW 506.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O5/c1-20-19-22(9-12-24(20)36-5)27(33)25-26(21-7-10-23(11-8-21)30(2,3)4)32(29(35)28(25)34)14-6-13-31-15-17-37-18-16-31/h7-12,19,26,33H,6,13-18H2,1-5H3/b27-25+InChIKey
ZKPFEESLSCHYPL-IMVLJIQESA-NSynonyms
497229-45-5(4E)5(4TERTBUTYLPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4tertbutylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(2(4TERTBUTYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
497229455
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=C(C=C4)C(C)(C)C)(O))OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC(NH+)1CCOCC1)(O)
InChI=1SC30H38N2O5c1201922(91224(20)365)27(33)2526(2171023(11821)30(23)4)32(29(35)28(25)34)1461331151737181631h712192633H61318H215H3b2725+
MFCD18247383
ZINC000102858182
ZINC000102858189
Check stock
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Check stock on Vitas-MAvailable files
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