Vitas-M small molecule compound
(E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STK560865
SMILES C=CCOc1cccc(c1)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 C30H36N2O6 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O6/c1-4-17-37-25-8-5-7-23(20-25)27-26(28(33)22-9-11-24(12-10-22)38-21(2)3)29(34)30(35)32(27)14-6-13-31-15-18-36-19-16-31/h4-5,7-12,20-21,27,33H,1,6,13-19H2,2-3H3/b28-26+InChIKey
UGMVKLPYQYNWHC-BYCLXTJYSA-NSynonyms
848687-61-6(4E)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(morpholin4ium4yl)propyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(3PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
3HYDROXY4((4(METHYLETHOXY)PHENYL)CARBONYL)1(3MORPHOLIN4YLPROPYL)5(3PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
848687616
C=CCOc1cccc(c1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1)OC(C)C)(O)
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=CC=C4)OCC=C)O
InChI=1SC30H36N2O6c1417372585723(2025)2726(28(33)2291124(121022)3821(2)3)29(34)30(35)32(27)1461331151836191631h4571220212733H161319H223H3b2826+
MFCD18243649
ZINC000101315207
ZINC000101315210
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