Vitas-M small molecule compound

5-[(phenylamino)methyl]-2-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3H-1,2,4-triazol-3-one

Catalog ID
STK695558
SMILES O=c1nc([nH]n1Cc1cccc(c1)C(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 C17H15F3N4O MW 348.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15F3N4O/c18-17(19,20)13-6-4-5-12(9-13)11-24-16(25)22-15(23-24)10-21-14-7-2-1-3-8-14/h1-9,21H,10-11H2,(H,22,23,25)
InChIKey
CYFFLDNDEWPXJY-UHFFFAOYSA-N
Synonyms
1192655-95-0
1192655950
5((phenylamino)methyl)2(3(trifluoromethyl)benzyl)12dihydro3H124triazol3one
5((phenylamino)methyl)2(3(trifluoromethyl)benzyl)1H124triazol3(2H)one
5(anilinomethyl)2((3(trifluoromethyl)phenyl)methyl)1H124triazol3one
C1=CC=C(C=C1)NCC2=NC(=O)N(N2)CC3=CC(=CC=C3)C(F)(F)F
InChI=1SC17H15F3N4Oc1817(1920)1364512(913)112416(25)2215(2324)1021147213814h1921H1011H2(H222325)
MFCD16624714
O=c1nc((nH)n1Cc1cccc(c1)C(F)(F)F)CNc1ccccc1
ZINC000036559150
ZINC36559150

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Available files

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