Vitas-M small molecule compound
(5E)-5-{1-[(1-benzylpiperidinium-4-yl)amino]propylidene}-2,6-dioxo-1-phenyl-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL048292
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1)[O-])/NC1CC[NH+](CC1)Cc1ccccc1
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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 C25H28N4O3 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O3/c1-2-21(26-19-13-15-28(16-14-19)17-18-9-5-3-6-10-18)22-23(30)27-25(32)29(24(22)31)20-11-7-4-8-12-20/h3-12,19,26H,2,13-17H2,1H3,(H,27,30,32)/b22-21+InChIKey
LYWVCODDEUUHKZ-QURGRASLSA-NSynonyms
(5E)5(1((1BENZYLPIPERIDIN1IUM4YL)AMINO)PROPYLIDENE)46DIOXO1PHENYLPYRIMIDIN2OLATE
(5E)5(1((1BENZYLPIPERIDIN4YL)AMINO)PROPYLIDENE)1PHENYL13DIAZINANE246TRIONE
(5E)5(1((1benzylpiperidinium4yl)amino)propylidene)26dioxo1phenyl1256tetrahydropyrimidin4olate
CCC(=C1C(=NC(=O)N(C1=O)c1ccccc1)(O))NC1CC(NH+)(CC1)Cc1ccccc1
CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NC3CCN(CC3)CC4=CC=CC=C4
InChI=1SC25H28N4O3c1221(2619131528(161419)171895361018)2223(30)2725(32)29(24(22)31)20117481220h3121926H21317H21H3(H273032)b2221+
MFCD18249186
ZINC000020323893
ZINC20323893
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