Vitas-M small molecule compound
(5E)-5-{[(1-benzylpiperidinium-4-yl)amino]methylidene}-1-(4-fluorobenzyl)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STK570558
SMILES Fc1ccc(cc1)CN1C(=O)N=C(/C(=C\NC2CC[NH+](CC2)Cc2ccccc2)/C1=O)[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 C24H25FN4O3 MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25FN4O3/c25-19-8-6-18(7-9-19)16-29-23(31)21(22(30)27-24(29)32)14-26-20-10-12-28(13-11-20)15-17-4-2-1-3-5-17/h1-9,14,20,26H,10-13,15-16H2,(H,27,30,32)/b21-14+InChIKey
WCMPLFHQNHAKLO-KGENOOAVSA-NSynonyms
(5E)5(((1BENZYLPIPERIDIN1IUM4YL)AMINO)METHYLIDENE)1((4FLUOROPHENYL)METHYL)46DIOXOPYRIMIDIN2OLATE
(5E)5(((1BENZYLPIPERIDIN4YL)AMINO)METHYLIDENE)1((4FLUOROPHENYL)METHYL)13DIAZINANE246TRIONE
(5E)5(((1benzylpiperidinium4yl)amino)methylidene)1(4fluorobenzyl)26dioxo1256tetrahydropyrimidin4olate
C1C(NH+)(CCC1NC=C2C(=O)N=C(N(C2=O)CC3=CC=C(C=C3)F)(O))CC4=CC=CC=C4
Fc1ccc(cc1)CN1C(=O)N=C(C(=CNC2CC(NH+)(CC2)Cc2ccccc2)C1=O)(O)
InChI=1SC24H25FN4O3c25198618(7919)162923(31)21(22(30)2724(29)32)142620101228(131120)15174213517h19142026H10131516H2(H273032)b2114+
MFCD18245366
ZINC000001294901
ZINC1294901
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