Vitas-M small molecule compound
4-(methylcarbamoyl)-3-(2-oxo-2-phenylethyl)-1-{[(E)-phenylmethylidene]amino}-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL439636
SMILES CNC(=O)c1[n+](CC(=O)c2ccccc2)nn(c1[O-])/N=C/c1ccccc1
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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 C19H17N5O3 MW 363.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O3/c1-20-18(26)17-19(27)24(21-12-14-8-4-2-5-9-14)22-23(17)13-16(25)15-10-6-3-7-11-15/h2-12H,13H2,1H3,(H-,20,22,26,27)/b21-12+InChIKey
YEACKEYIECCXDR-CIAFOILYSA-NSynonyms
3((E)benzylideneamino)5(methylcarbamoyl)1phenacyltriazol1ium4olate
4(methylcarbamoyl)3(2oxo2phenylethyl)1(((E)phenylmethylidene)amino)1H123triazol3ium5olate
CNC(=O)c1(n+)(CC(=O)c2ccccc2)nn(c1(O))N=Cc1ccccc1
CNC(=O)C1=C(N(N=(N+)1CC(=O)C2=CC=CC=C2)N=CC3=CC=CC=C3)(O)
InChI=1SC19H17N5O3c12018(26)1719(27)24(2112148425914)2223(17)1316(25)15106371115h212H13H21H3(H20222627)b2112+
MFCD09992401
ZINC000033431733
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