Vitas-M small molecule compound

2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide

Catalog ID
STK838115
SMILES N#Cc1c(NC(=O)Cn2nc(c(c2C)Br)C(F)(F)F)sc2c1CCCCC2

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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 C17H16BrF3N4OS MW 461.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrF3N4OS/c1-9-14(18)15(17(19,20)21)24-25(9)8-13(26)23-16-11(7-22)10-5-3-2-4-6-12(10)27-16/h2-6,8H2,1H3,(H,23,26)
InChIKey
XRTWLQARXCHIKZ-UHFFFAOYSA-N
Synonyms
357611-62-2
2(4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)acetamide
2(4bromo5methyl3(trifluoromethyl)pyrazol1yl)N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)acetamide
357611622
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)C(F)(F)F)Br
InChI=1SC17H16BrF3N4OSc1914(18)15(17(1920)21)2425(9)813(26)231611(722)105324612(10)2716h268H21H3(H2326)
MFCD01451930
ZINC000002742550
ZINC02742550
ZINC2742550

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Available files

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