Vitas-M small molecule compound
(5E)-1-benzyl-2,6-dioxo-5-{1-[(pyridinium-3-ylmethyl)amino]propylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL040826
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)[O-])/NCc1ccc[nH+]c1
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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 C20H20N4O3 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3/c1-2-16(22-12-15-9-6-10-21-11-15)17-18(25)23-20(27)24(19(17)26)13-14-7-4-3-5-8-14/h3-11,22H,2,12-13H2,1H3,(H,23,25,27)/b17-16+InChIKey
ZZTGNNZVIKVYFP-WUKNDPDISA-NSynonyms
(5E)1benzyl26dioxo5(1((pyridinium3ylmethyl)amino)propylidene)1256tetrahydropyrimidin4olate
(5E)1BENZYL5(1(PYRIDIN3YLMETHYLAMINO)PROPYLIDENE)13DIAZINANE246TRIONE
CCC(=C1C(=NC(=O)N(C1=O)Cc1ccccc1)(O))NCc1ccc(nH+)c1
CCC(=C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)NCC3=CN=CC=C3
InChI=1SC20H20N4O3c1216(2212159610211115)1718(25)2320(27)24(19(17)26)13147435814h31122H21213H21H3(H232527)b1716+
MFCD18248066
ZINC000020292183
ZINC20292183
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