Vitas-M small molecule compound
(5E)-5-{[(1-benzylpiperidinium-4-yl)amino]methylidene}-1-(4-fluorobenzyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL052336
SMILES Fc1ccc(cc1)CN1C(=NC(=O)/C(=C\NC2CC[NH+](CC2)Cc2ccccc2)/C1=O)[S-]
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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 C24H25FN4O2S MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25FN4O2S/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
YKAWYMLGLGMAES-KGENOOAVSA-NSynonyms
(5E)5(((1BENZYLPIPERIDIN1IUM4YL)AMINO)METHYLIDENE)1((4FLUOROPHENYL)METHYL)6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
(5E)5(((1BENZYLPIPERIDIN4YL)AMINO)METHYLIDENE)1((4FLUOROPHENYL)METHYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(((1benzylpiperidinium4yl)amino)methylidene)1(4fluorobenzyl)46dioxo1456tetrahydropyrimidine2thiolate
C1C(NH+)(CCC1NC=C2C(=NC(=S)N(C2=O)CC3=CC=C(C=C3)F)(O))CC4=CC=CC=C4
Fc1ccc(cc1)CN1C(=NC(=O)C(=CNC2CC(NH+)(CC2)Cc2ccccc2)C1=O)(S)
InChI=1SC24H25FN4O2Sc25198618(7919)162923(31)21(22(30)2724(29)32)142620101228(131120)15174213517h19142026H10131516H2(H273032)b2114+
MFCD18249459
ZINC000001845210
ZINC1845210
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