Vitas-M small molecule compound
(5E)-5-{[(1-benzylpiperidinium-4-yl)amino]methylidene}-1-cyclopropyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STK567766
SMILES O=C1N=C([S-])N(C(=O)/C/1=C/NC1CC[NH+](CC1)Cc1ccccc1)C1CC1
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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 C20H24N4O2S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O2S/c25-18-17(19(26)24(16-6-7-16)20(27)22-18)12-21-15-8-10-23(11-9-15)13-14-4-2-1-3-5-14/h1-5,12,15-16,21H,6-11,13H2,(H,22,25,27)/b17-12+InChIKey
PHRVQEJGHPDCMQ-SFQUDFHCSA-NSynonyms
(5E)5(((1BENZYLPIPERIDIN1IUM4YL)AMINO)METHYLIDENE)1CYCLOPROPYL6OXO2SULFANYLIDENEPYRIMIDIN4OLATE
(5E)5(((1BENZYLPIPERIDIN4YL)AMINO)METHYLIDENE)1CYCLOPROPYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(((1benzylpiperidinium4yl)amino)methylidene)1cyclopropyl46dioxo1456tetrahydropyrimidine2thiolate
C1CC1N2C(=O)C(=CNC3CC(NH+)(CC3)CC4=CC=CC=C4)C(=NC2=S)(O)
InChI=1SC20H24N4O2Sc251817(19(26)24(166716)20(27)2218)12211581023(11915)13144213514h1512151621H61113H2(H222527)b1712+
MFCD18245176
O=C1N=C((S))N(C(=O)C1=CNC1CC(NH+)(CC1)Cc1ccccc1)C1CC1
ZINC000001876320
ZINC1876320
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