Vitas-M small molecule compound
(E)-[2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate
Catalog ID
STL042176
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)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 C27H26N2O6 MW 474.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6/c1-3-13-35-20-9-6-18(7-10-20)25(31)23-24(19-8-11-21(30)22(14-19)34-2)29(27(33)26(23)32)16-17-5-4-12-28-15-17/h4-12,14-15,24,30-31H,3,13,16H2,1-2H3/b25-23+InChIKey
CTBFGPIINCLCLE-WJTDDFOZSA-NSynonyms
843634-55-9(4E)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4HYDROXY3METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
(E)(2(4hydroxy3methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4propoxyphenyl)methanolate
843634559
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C=C4)O)OC)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)O)Cc1ccc(nH+)c1)(O)
InChI=1SC27H26N2O6c131335209618(71020)25(31)2324(1981121(30)22(1419)342)29(27(33)26(23)32)16175412281517h4121415243031H31316H212H3b2523+
MFCD18248141
ZINC000102868768
ZINC000102868771
Check stock
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Check stock on Vitas-MAvailable files
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