Vitas-M small molecule compound
2-({4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide
Catalog ID
STK433955
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])nnc1c1cc(nn1C)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 C17H16F3N7O3S MW 455.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F3N7O3S/c1-3-26-15(12-8-13(17(18,19)20)24-25(12)2)22-23-16(26)31-9-14(28)21-10-4-6-11(7-5-10)27(29)30/h4-8H,3,9H2,1-2H3,(H,21,28)InChIKey
CBYAUDCIIWYTIO-UHFFFAOYSA-NSynonyms
2((4ethyl5(1methyl3(trifluoromethyl)1Hpyrazol5yl)4H124triazol3yl)sulfanyl)N(4nitrophenyl)acetamide
2((4ETHYL5(2METHYL5(TRIFLUOROMETHYL)PYRAZOL3YL)124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
2(4ETHYL5(1METHYL3(TRIFLUOROMETHYL)PYRAZOL5YL)(124TRIAZOL3YLTHIO))N(4NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))C3=CC(=NN3C)C(F)(F)F
CCn1c(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))nnc1c1cc(nn1C)C(F)(F)F
InChI=1SC17H16F3N7O3Sc132615(12813(17(1819)20)2425(12)2)222316(26)31914(28)21104611(7510)27(29)30h48H39H212H3(H2128)
MFCD03943393
ZINC000020214592
ZINC20214592
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