Vitas-M small molecule compound
1-{[(E)-(4-fluorophenyl)methylidene]amino}-3-methyl-4-(methylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL442175
SMILES CNC(=O)c1[n+](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 C12H12FN5O2 MW 277.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12FN5O2/c1-14-11(19)10-12(20)18(16-17(10)2)15-7-8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H-,14,16,19,20)/b15-7+InChIKey
KAEBNUKGXHXWMD-VIZOYTHASA-NSynonyms
1(((E)(4fluorophenyl)methylidene)amino)3methyl4(methylcarbamoyl)1H123triazol3ium5olate
3((E)(4fluorophenyl)methylideneamino)1methyl5(methylcarbamoyl)triazol1ium4olate
CNC(=O)c1(n+)(C)nn(c1(O))N=Cc1ccc(cc1)F
CNC(=O)C1=C(N(N=(N+)1C)N=CC2=CC=C(C=C2)F)(O)
InChI=1SC12H12FN5O2c11411(19)1012(20)18(1617(10)2)1578359(13)648h37H12H3(H14161920)b157+
MFCD09992860
ZINC000033436115
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