Vitas-M small molecule compound

(E)-{2-(3-chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate

Catalog ID
STL039360
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)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 C27H29ClN2O5 MW 496.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN2O5/c1-2-15-35-22-9-7-19(8-10-22)25(31)23-24(20-5-3-6-21(28)18-20)30(27(33)26(23)32)12-4-11-29-13-16-34-17-14-29/h2-3,5-10,18,24,31H,1,4,11-17H2/b25-23+
InChIKey
LLIOAXWWSJNDGW-WJTDDFOZSA-N
Synonyms
615271-15-3
(4E)5(3CHLOROPHENYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3chlorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(2(3CHLOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
5(3CHLOROPHENYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)4((4PROP2ENYLOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615271153
C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC(=CC=C4)Cl)O
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Cl)CCC(NH+)1CCOCC1)(O)
InChI=1SC27H29ClN2O5c121535229719(81022)25(31)2324(2053621(28)1820)30(27(33)26(23)32)1241129131634171429h23510182431H141117H2b2523+
MFCD18247816
ZINC000101287809
ZINC000101287810

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Available files

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