Vitas-M small molecule compound
(E)-[2-(4-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate
Catalog ID
STK561101
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC)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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-3-15-34-22-12-8-20(9-13-22)25(30)23-24(19-6-10-21(33-2)11-7-19)29(27(32)26(23)31)17-18-5-4-14-28-16-18/h4-14,16,24,30H,3,15,17H2,1-2H3/b25-23+InChIKey
JSWPHRRZJBMEKQ-WJTDDFOZSA-NSynonyms
799820-14-7(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
(E)(2(4methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
799820147
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)OC)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC)Cc1ccc(nH+)c1)(O)
InChI=1SC27H26N2O5c1315342212820(91322)25(30)2324(1961021(332)11719)29(27(32)26(23)31)17185414281618h414162430H31517H212H3b2523+
MFCD18243711
ZINC000102501655
ZINC000102501664
Check stock
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Check stock on Vitas-MAvailable files
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