Vitas-M small molecule compound
1-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129552
SMILES O=C(Cn1nnc(c1C)C(=O)Nc1cccc(c1)C(F)(F)F)Nc1ccc(c(c1)C)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 C21H20F3N5O2 MW 431.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N5O2/c1-12-7-8-17(9-13(12)2)25-18(30)11-29-14(3)19(27-28-29)20(31)26-16-6-4-5-15(10-16)21(22,23)24/h4-10H,11H2,1-3H3,(H,25,30)(H,26,31)InChIKey
DSJKRUWQYFRCFQ-UHFFFAOYSA-NSynonyms
1(2((34dimethylphenyl)amino)2oxoethyl)5methylN(3(trifluoromethyl)phenyl)1H123triazole4carboxamide
1(2(34dimethylanilino)2oxoethyl)5methylN(3(trifluoromethyl)phenyl)triazole4carboxamide
CC1=C(C=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C)C
InChI=1SC21H20F3N5O2c1127817(913(12)2)2518(30)112914(3)19(272829)20(31)261664515(1016)21(2223)24h410H11H213H3(H2530)(H2631)
MFCD20747268
ZINC000067322242
ZINC67322242
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