Vitas-M small molecule compound
3-benzyl-1-(4-methylphenyl)-4-[(4-methylphenyl)carbamoyl]-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL441156
SMILES Cc1ccc(cc1)NC(=O)c1[n+](Cc2ccccc2)nn(c1[O-])c1ccc(cc1)C
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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 C24H22N4O2 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O2/c1-17-8-12-20(13-9-17)25-23(29)22-24(30)28(21-14-10-18(2)11-15-21)26-27(22)16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H-,25,26,29,30)InChIKey
KPDRDFBVGLCGBM-UHFFFAOYSA-NSynonyms
1BENZYL3(4METHYLPHENYL)5((4METHYLPHENYL)CARBAMOYL)TRIAZOL1IUM4OLATE
1BENZYL3PTOLYL5(PTOLYLCARBAMOYL)3H123TRIAZOL1IUM4OLATE
3benzyl1(4methylphenyl)4((4methylphenyl)carbamoyl)1H123triazol3ium5olate
CC1=CC=C(C=C1)NC(=O)C2=C(N(N=(N+)2CC3=CC=CC=C3)C4=CC=C(C=C4)C)(O)
Cc1ccc(cc1)NC(=O)c1(n+)(Cc2ccccc2)nn(c1(O))c1ccc(cc1)C
InChI=1SC24H22N4O2c11781220(13917)2523(29)2224(30)28(21141018(2)111521)2627(22)16196435719h315H16H212H3(H25262930)
MFCD07773666
ZINC000003765429
ZINC03765429
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