Vitas-M small molecule compound
(5E)-1-cycloheptyl-2,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL051319
SMILES O=C1N=C([O-])/C(=C\NCc2ccc[nH+]c2)/C(=O)N1C1CCCCCC1
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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 C18H22N4O3 MW 342.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O3/c23-16-15(12-20-11-13-6-5-9-19-10-13)17(24)22(18(25)21-16)14-7-3-1-2-4-8-14/h5-6,9-10,12,14,20H,1-4,7-8,11H2,(H,21,23,25)/b15-12+InChIKey
XQMKLBLSIYVMEB-NTCAYCPXSA-NSynonyms
(5E)1cycloheptyl26dioxo5(((pyridinium3ylmethyl)amino)methylidene)1256tetrahydropyrimidin4olate
(5E)1CYCLOHEPTYL46DIOXO5((PYRIDIN1IUM3YLMETHYLAMINO)METHYLIDENE)PYRIMIDIN2OLATE
(5E)1CYCLOHEPTYL5((PYRIDIN3YLMETHYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
1CYCLOHEPTYL5(1((PYRIDIN3YLMETHYL)AMINO)METH(E)YLIDENE)PYRIMIDINE246TRIONE
C1CCCC(CC1)N2C(=O)C(=CNCC3=C(NH+)=CC=C3)C(=O)N=C2(O)
InChI=1SC18H22N4O3c231615(12201113659191013)17(24)22(18(25)2116)1473124814h56910121420H147811H2(H212325)b1512+
MFCD18249390
O=C1N=C((O))C(=CNCc2ccc(nH+)c2)C(=O)N1C1CCCCCC1
ZINC000001275085
ZINC02373122
ZINC1275085
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