Vitas-M small molecule compound
(E)-[2-(3-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-butoxy-3-methylphenyl)methanolate
Catalog ID
STK560964
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)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 C28H27BrN2O4 MW 535.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN2O4/c1-3-4-13-35-23-11-10-21(14-18(23)2)26(32)24-25(20-8-5-9-22(29)15-20)31(28(34)27(24)33)17-19-7-6-12-30-16-19/h5-12,14-16,25,32H,3-4,13,17H2,1-2H3/b26-24+InChIKey
TXWDFIFCPDTCAA-SHHOIMCASA-NSynonyms
487019-64-7(4E)5(3BROMOPHENYL)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3BROMOPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4BUTOXY3METHYLPHENYL)METHANOLATE
(E)(2(3bromophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4butoxy3methylphenyl)methanolate
487019647
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=CC=C4)Br)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)Cc1ccc(nH+)c1)(O)
InChI=1SC28H27BrN2O4c134133523111021(1418(23)2)26(32)2425(2085922(29)1520)31(28(34)27(24)33)17197612301619h51214162532H341317H212H3b2624+
MFCD18243675
ZINC000102500469
ZINC000102500478
Check stock
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Check stock on Vitas-MAvailable files
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