Vitas-M small molecule compound
5-[(phenylamino)methyl]-2-[4-(trifluoromethoxy)benzyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Catalog ID
STK935246
SMILES O=c1nc([nH]n1Cc1ccc(cc1)OC(F)(F)F)CNc1ccccc1
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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 C17H15F3N4O2 MW 364.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15F3N4O2/c18-17(19,20)26-14-8-6-12(7-9-14)11-24-16(25)22-15(23-24)10-21-13-4-2-1-3-5-13/h1-9,21H,10-11H2,(H,22,23,25)InChIKey
BCTXMAWODDXPOB-UHFFFAOYSA-NSynonyms
1219544-04-31219544043
5((phenylamino)methyl)2(4(trifluoromethoxy)benzyl)12dihydro3H124triazol3one
5((phenylamino)methyl)2(4(trifluoromethoxy)benzyl)1H124triazol3(2H)one
5(anilinomethyl)2((4(trifluoromethoxy)phenyl)methyl)1H124triazol3one
C1=CC=C(C=C1)NCC2=NC(=O)N(N2)CC3=CC=C(C=C3)OC(F)(F)F
InChI=1SC17H15F3N4O2c1817(1920)26148612(7914)112416(25)2215(2324)1021134213513h1921H1011H2(H222325)
MFCD16627810
O=c1nc((nH)n1Cc1ccc(cc1)OC(F)(F)F)CNc1ccccc1
ZINC000040288428
ZINC40288428
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