Vitas-M small molecule compound
(E)-[2-(3,4-dichlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK560531
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)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 C25H20Cl2N2O4 MW 483.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N2O4/c1-14-10-17(6-8-20(14)33-2)23(30)21-22(16-5-7-18(26)19(27)11-16)29(25(32)24(21)31)13-15-4-3-9-28-12-15/h3-12,22,30H,13H2,1-2H3/b23-21+InChIKey
RNRSDAFOCBZGHM-XTQSDGFTSA-NSynonyms
433255-42-6(4E)5(34DICHLOROPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(34DICHLOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
(E)(2(34dichlorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
433255426
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=C(C=C4)Cl)Cl)(O))OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)Cc1ccc(nH+)c1)(O)
InChI=1SC25H20Cl2N2O4c1141017(6820(14)332)23(30)2122(165718(26)19(27)1116)29(25(32)24(21)31)1315439281215h3122230H13H212H3b2321+
MFCD18243563
ZINC000102496756
ZINC000102496762
Check stock
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Check stock on Vitas-MAvailable files
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