Vitas-M small molecule compound
(5Z)-1-(4-methylphenyl)-5-{1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene}-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL048002
SMILES C[NH+]1CCN(CC1)N/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)[O-])/C
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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 C18H23N5O3 MW 357.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N5O3/c1-12-4-6-14(7-5-12)23-17(25)15(16(24)19-18(23)26)13(2)20-22-10-8-21(3)9-11-22/h4-7,20H,8-11H2,1-3H3,(H,19,24,26)/b15-13-InChIKey
WGWGMTKNKCCSSW-SQFISAMPSA-NSynonyms
(5Z)1(4METHYLPHENYL)5(1((4METHYLPIPERAZIN1YL)AMINO)ETHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(4methylphenyl)5(1((4methylpiperazin4ium1yl)amino)ethylidene)26dioxo1256tetrahydropyrimidin4olate
(5Z)1(4METHYLPHENYL)5(1((4METHYLPIPERAZIN4IUM1YL)AMINO)ETHYLIDENE)46DIOXOPYRIMIDIN2OLATE
C(NH+)1CCN(CC1)NC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)C)(O))C
CC1=CC=C(C=C1)N2C(=O)C(=C(C)NN3CCN(CC3)C)C(=O)NC2=O
InChI=1SC18H23N5O3c1124614(7512)2317(25)15(16(24)1918(23)26)13(2)202210821(3)91122h4720H811H213H3(H192426)b1513
MFCD18249166
ZINC000020332540
ZINC20332540
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