Vitas-M small molecule compound
N-(4-chloro-3-nitrophenyl)-2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK434864
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl)nnc1c1nn(c(c1)C(F)(F)F)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 C17H15ClF3N7O3S MW 489.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClF3N7O3S/c1-3-27-15(11-7-13(17(19,20)21)26(2)25-11)23-24-16(27)32-8-14(29)22-9-4-5-10(18)12(6-9)28(30)31/h4-7H,3,8H2,1-2H3,(H,22,29)InChIKey
OTGXFFPGTIAYIX-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)(N+)(=O)(O))C3=NN(C(=C3)C(F)(F)F)C
CCn1c(SCC(=O)Nc2ccc(c(c2)(N+)(=O)(O))Cl)nnc1c1nn(c(c1)C(F)(F)F)C
InChI=1SC17H15ClF3N7O3Sc132715(11713(17(1920)21)26(2)2511)232416(27)32814(29)2294510(18)12(69)28(30)31h47H38H212H3(H2229)
MFCD03943242
N(4chloro3nitrophenyl)2((4ethyl5(1methyl5(trifluoromethyl)1Hpyrazol3yl)4H124triazol3yl)sulfanyl)acetamide
N(4CHLORO3NITROPHENYL)2((4ETHYL5(1METHYL5(TRIFLUOROMETHYL)PYRAZOL3YL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4CHLORO3NITROPHENYL)2(4ETHYL5(1METHYL5(TRIFLUOROMETHYL)PYRAZOL3YL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000020214474
ZINC20214474
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