Vitas-M small molecule compound
(E)-[4,5-dioxo-2-(3-propoxyphenyl)-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxyphenyl)methanolate
Catalog ID
STK565769
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OC)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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/c1-3-14-34-22-8-4-7-20(15-22)24-23(25(30)19-9-11-21(33-2)12-10-19)26(31)27(32)29(24)17-18-6-5-13-28-16-18/h4-13,15-16,24,30H,3,14,17H2,1-2H3/b25-23+InChIKey
OYAVOGBXXSGIOR-WJTDDFOZSA-NSynonyms
614747-75-0(4E)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)5(3PROPOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(45DIOXO2(3PROPOXYPHENYL)1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXYPHENYL)METHANOLATE
(E)(45dioxo2(3propoxyphenyl)1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxyphenyl)methanolate
3HYDROXY4((4METHOXYPHENYL)CARBONYL)5(3PROPOXYPHENYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
614747750
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)OC)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
CCCOc1cccc(c1)C1C(=C(c2ccc(cc2)OC)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC27H26N2O5c1314342284720(1522)2423(25(30)1991121(332)121019)26(31)27(32)29(24)17186513281618h41315162430H31417H212H3b2523+
MFCD18244868
ZINC000102537317
ZINC000102537326
Check stock
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Check stock on Vitas-MAvailable files
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