Vitas-M small molecule compound
5-ethyl-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazole-4-carboxylic acid
Catalog ID
STL143200
SMILES CCc1n(nnc1C(=O)O)Cc1cccc(c1)C(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 C13H12F3N3O2 MW 299.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F3N3O2/c1-2-10-11(12(20)21)17-18-19(10)7-8-4-3-5-9(6-8)13(14,15)16/h3-6H,2,7H2,1H3,(H,20,21)InChIKey
QAZSSPPNIQIQCR-UHFFFAOYSA-NSynonyms
1338658-52-81338658528
5ethyl1((3(trifluoromethyl)phenyl)methyl)triazole4carboxylicacid
5ethyl1(3(trifluoromethyl)benzyl)1H123triazole4carboxylicacid
CCC1=C(N=NN1CC2=CC(=CC=C2)C(F)(F)F)C(=O)O
InChI=1SC13H12F3N3O2c121011(12(20)21)171819(10)784359(68)13(1415)16h36H27H21H3(H2021)
MFCD20748327
ZINC000050214226
ZINC50214226
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