Vitas-M small molecule compound
(E)-[2-(2-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STK570879
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1OC)Cc1ccc[nH+]c1)/[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 C27H24N2O5 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5/c1-3-15-34-20-12-10-19(11-13-20)25(30)23-24(21-8-4-5-9-22(21)33-2)29(27(32)26(23)31)17-18-7-6-14-28-16-18/h3-14,16,24,30H,1,15,17H2,2H3/b25-23+InChIKey
JVXQQVDCYNMBHR-WJTDDFOZSA-NSynonyms
845903-16-4(4E)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)5(2METHOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(2METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
(E)(2(2methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
845903164
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1OC)Cc1ccc(nH+)c1)(O)
COC1=CC=CC=C1C2C(=C(C3=CC=C(C=C3)OCC=C)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
InChI=1SC27H24N2O5c13153420121019(111320)25(30)2324(21845922(21)332)29(27(32)26(23)31)17187614281618h314162430H11517H22H3b2523+
MFCD18245393
ZINC000101288063
ZINC000101288065
Check stock
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Check stock on Vitas-MAvailable files
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