Vitas-M small molecule compound
(5Z)-6-hydroxy-4-oxo-5-{1-[(pyridinium-3-ylmethyl)amino]ethylidene}-4,5-dihydropyrimidin-2-olate
Catalog ID
STK567978
SMILES [O-]C1=NC(=O)/C(=C(\NCc2ccc[nH+]c2)/C)/C(=N1)O
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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 C12H12N4O3 MW 260.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N4O3/c1-7(14-6-8-3-2-4-13-5-8)9-10(17)15-12(19)16-11(9)18/h2-5,14H,6H2,1H3,(H2,15,16,17,18,19)InChIKey
LBVBRWAMUFIMJV-UHFFFAOYSA-NSynonyms
(5E)46dioxo5(1(pyridin1ium3ylmethylamino)ethylidene)1Hpyrimidin2olate
(5Z)46DIOXO5(1(PYRIDIN1IUM3YLMETHYLAMINO)ETHYLIDENE)1HPYRIMIDIN2OLATE
(5Z)6hydroxy4oxo5(1((pyridinium3ylmethyl)amino)ethylidene)45dihydropyrimidin2olate
(O)C1=NC(=O)C(=C(NCc2ccc(nH+)c2)C)C(=N1)O
46DIOXO5(1(PYRIDIN1IUM3YLMETHYLAMINO)ETHYLIDENE)1HPYRIMIDIN2OLATE
5(1(PYRIDIN3YLMETHYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC(=C1C(=O)NC(=NC1=O)(O))NCC2=C(NH+)=CC=C2
InChI=1SC12H12N4O3c17(14683241358)910(17)1512(19)1611(9)18h2514H6H21H3(H21516171819)
MFCD18245191
ZINC000001278564
ZINC05624605
ZINC1278564
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