Vitas-M small molecule compound
(E)-(4-bromophenyl)[2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL038105
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)Br)\[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 C26H23BrN2O5 MW 523.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN2O5/c1-3-34-20-11-8-18(13-21(20)33-2)23-22(24(30)17-6-9-19(27)10-7-17)25(31)26(32)29(23)15-16-5-4-12-28-14-16/h4-14,23,30H,3,15H2,1-2H3/b24-22+InChIKey
WISDKELRKFWYSV-ZNTNEXAZSA-NSynonyms
877780-17-1(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)5(4ETHOXY3METHOXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4BROMOPHENYL)(2(4ETHOXY3METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4bromophenyl)(2(4ethoxy3methoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
4((4BROMOPHENYL)CARBONYL)5(4ETHOXY3METHOXYPHENYL)3HYDROXY1(3PYRIDYLMETHYL)3PYRROLIN2ONE
877780171
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CC4=CN=CC=C4)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)Br)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC26H23BrN2O5c13342011818(1321(20)332)2322(24(30)176919(27)10717)25(31)26(32)29(23)15165412281416h4142330H315H212H3b2422+
MFCD18247558
ZINC000102860161
ZINC000102860164
Check stock
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Check stock on Vitas-MAvailable files
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