Vitas-M small molecule compound

(E)-(4-methoxyphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate

Catalog ID
STL036956
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OC)\[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 C27H30N2O6 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O6/c1-3-15-35-22-6-4-5-20(18-22)24-23(25(30)19-7-9-21(33-2)10-8-19)26(31)27(32)29(24)12-11-28-13-16-34-17-14-28/h3-10,18,24,30H,1,11-17H2,2H3/b25-23+
InChIKey
MLLXWALCTAZAFZ-WJTDDFOZSA-N
Synonyms
620147-64-0
(4E)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(4Z)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4methoxyphenyl)(1(2(morpholin4ium4yl)ethyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)(4METHOXYPHENYL)(1(2MORPHOLIN4IUM4YLETHYL)45DIOXO2(3PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4((4METHOXYPHENYL)CARBONYL)1(2MORPHOLIN4YLETHYL)5(3PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
620147640
C=CCOc1cccc(c1)C1C(=C(c2ccc(cc2)OC)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)3CCOCC3)C4=CC(=CC=C4)OCC=C)(O)
InChI=1SC27H30N2O6c1315352264520(1822)2423(25(30)197921(332)10819)26(31)27(32)29(24)121128131634171428h310182430H11117H22H3b2523+
MFCD18247332
ZINC000101313525
ZINC000101313529

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Available files

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