Vitas-M small molecule compound
5-{[(4-methoxyphenyl)amino]methyl}-2-[4-(trifluoromethoxy)benzyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Catalog ID
STK937657
SMILES COc1ccc(cc1)NCc1[nH]n(c(=O)n1)Cc1ccc(cc1)OC(F)(F)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 C18H17F3N4O3 MW 394.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17F3N4O3/c1-27-14-8-4-13(5-9-14)22-10-16-23-17(26)25(24-16)11-12-2-6-15(7-3-12)28-18(19,20)21/h2-9,22H,10-11H2,1H3,(H,23,24,26)InChIKey
FSLXXUGVXAPYGM-UHFFFAOYSA-NSynonyms
1219549-35-51219549355
5(((4methoxyphenyl)amino)methyl)2(4(trifluoromethoxy)benzyl)12dihydro3H124triazol3one
5(((4methoxyphenyl)amino)methyl)2(4(trifluoromethoxy)benzyl)1H124triazol3(2H)one
5((4methoxyanilino)methyl)2((4(trifluoromethoxy)phenyl)methyl)1H124triazol3one
COC1=CC=C(C=C1)NCC2=NC(=O)N(N2)CC3=CC=C(C=C3)OC(F)(F)F
COc1ccc(cc1)NCc1(nH)n(c(=O)n1)Cc1ccc(cc1)OC(F)(F)F
InChI=1SC18H17F3N4O3c127148413(5914)2210162317(26)25(2416)11122615(7312)2818(1920)21h2922H1011H21H3(H232426)
MFCD16622855
ZINC000040266140
ZINC40266140
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