Vitas-M small molecule compound

2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide

Catalog ID
STK434040
SMILES CCn1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])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 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)25(2)24-12)22-23-16(26)31-9-14(28)21-10-5-4-6-11(7-10)27(29)30/h4-8H,3,9H2,1-2H3,(H,21,28)
InChIKey
BABXAZKWGLEFCO-UHFFFAOYSA-N
Synonyms

2((4ethyl5(1methyl5(trifluoromethyl)1Hpyrazol3yl)4H124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2((4ETHYL5(1METHYL5(TRIFLUOROMETHYL)PYRAZOL3YL)124TRIAZOL3YL)SULFANYL)N(3NITROPHENYL)ACETAMIDE
2(4ETHYL5(1METHYL5(TRIFLUOROMETHYL)PYRAZOL3YL)(124TRIAZOL3YLTHIO))N(3NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)(N+)(=O)(O))C3=NN(C(=C3)C(F)(F)F)C
CCn1c(SCC(=O)Nc2cccc(c2)(N+)(=O)(O))nnc1c1nn(c(c1)C(F)(F)F)C
InChI=1SC17H16F3N7O3Sc132615(12813(17(1819)20)25(2)2412)222316(26)31914(28)211054611(710)27(29)30h48H39H212H3(H2128)
MFCD03943331
ZINC000020214701
ZINC20214701

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Available files

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