Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl)[2-(3,4-dichlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK562733
SMILES CCCCOc1ccc(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 C28H26Cl2N2O4 MW 525.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26Cl2N2O4/c1-3-4-12-36-23-10-8-20(13-17(23)2)26(33)24-25(19-7-9-21(29)22(30)14-19)32(28(35)27(24)34)16-18-6-5-11-31-15-18/h5-11,13-15,25,33H,3-4,12,16H2,1-2H3/b26-24+InChIKey
FSIPXBWSDATHEI-SHHOIMCASA-NSynonyms
496773-18-3(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(34DICHLOROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4BUTOXY3METHYLPHENYL)(2(34DICHLOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4butoxy3methylphenyl)(2(34dichlorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
496773183
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=C(C=C4)Cl)Cl)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)Cc1ccc(nH+)c1)(O)
InChI=1SC28H26Cl2N2O4c13412362310820(1317(23)2)26(33)2425(197921(29)22(30)1419)32(28(35)27(24)34)16186511311518h51113152533H341216H212H3b2624+
MFCD18244109
ZINC000102515008
ZINC000102515017
Check stock
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Check stock on Vitas-MAvailable files
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