Vitas-M small molecule compound
(E)-{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK560395
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1
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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 C29H34N2O6 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O6/c1-4-16-36-24-7-5-6-22(19-24)26-25(27(32)21-8-10-23(11-9-21)37-20(2)3)28(33)29(34)31(26)13-12-30-14-17-35-18-15-30/h4-11,19-20,26,32H,1,12-18H2,2-3H3/b27-25+InChIKey
ZJGMFIWSZPTEKB-IMVLJIQESA-NSynonyms
577787-87-2(4E)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(morpholin4ium4yl)ethyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(3PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
3HYDROXY4((4(METHYLETHOXY)PHENYL)CARBONYL)1(2MORPHOLIN4YLETHYL)5(3PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
577787872
C=CCOc1cccc(c1)C1C(=C(c2ccc(cc2)OC(C)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC(=CC=C4)OCC=C)(O)
InChI=1SC29H34N2O6c1416362475622(1924)2625(27(32)2181023(11921)3720(2)3)28(33)29(34)31(26)131230141735181530h41119202632H11218H223H3b2725+
MFCD18243520
ZINC000101313460
ZINC000101313462
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