Vitas-M small molecule compound
1-{[(E)-(4-fluorophenyl)methylidene]amino}-4-(methylcarbamoyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL442181
SMILES CNC(=O)c1[n+](CC(=O)c2ccc(cc2)C)nn(c1[O-])/N=C/c1ccc(cc1)F
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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 C20H18FN5O3 MW 395.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN5O3/c1-13-3-7-15(8-4-13)17(27)12-25-18(19(28)22-2)20(29)26(24-25)23-11-14-5-9-16(21)10-6-14/h3-11H,12H2,1-2H3,(H-,22,24,28,29)/b23-11+InChIKey
CWJMYTXZARPSAT-FOKLQQMPSA-NSynonyms
1(((E)(4fluorophenyl)methylidene)amino)4(methylcarbamoyl)3(2(4methylphenyl)2oxoethyl)1H123triazol3ium5olate
3((E)(4fluorophenyl)methylideneamino)5(methylcarbamoyl)1(2(4methylphenyl)2oxoethyl)triazol1ium4olate
CC1=CC=C(C=C1)C(=O)C(N+)2=NN(C(=C2C(=O)NC)(O))N=CC3=CC=C(C=C3)F
CNC(=O)c1(n+)(CC(=O)c2ccc(cc2)C)nn(c1(O))N=Cc1ccc(cc1)F
InChI=1SC20H18FN5O3c1133715(8413)17(27)122518(19(28)222)20(29)26(2425)2311145916(21)10614h311H12H212H3(H22242829)b2311+
MFCD09992866
ZINC000033436121
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