Vitas-M small molecule compound
(5E)-1-(4-methoxyphenyl)-2,6-dioxo-5-{1-[(pyridinium-3-ylmethyl)amino]ethylidene}-1,2,5,6-tetrahydropyrimidin-4-olate
Catalog ID
STL042333
SMILES COc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCc2ccc[nH+]c2)/C)/C1=O)[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 C19H18N4O4 MW 366.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4/c1-12(21-11-13-4-3-9-20-10-13)16-17(24)22-19(26)23(18(16)25)14-5-7-15(27-2)8-6-14/h3-10,21H,11H2,1-2H3,(H,22,24,26)/b16-12+InChIKey
KRIJDLCIBGEXJU-FOWTUZBSSA-NSynonyms
(5E)1(4methoxyphenyl)26dioxo5(1((pyridinium3ylmethyl)amino)ethylidene)1256tetrahydropyrimidin4olate
(5E)1(4METHOXYPHENYL)5(1(PYRIDIN3YLMETHYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)NCC3=CN=CC=C3
COc1ccc(cc1)N1C(=O)N=C(C(=C(NCc2ccc(nH+)c2)C)C1=O)(O)
InChI=1SC19H18N4O4c112(211113439201013)1617(24)2219(26)23(18(16)25)145715(272)8614h31021H11H212H3(H222426)b1612+
MFCD18248155
ZINC000008554102
ZINC08554102
ZINC8554102
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