Vitas-M small molecule compound
1-[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azepane
Catalog ID
STL412984
SMILES CCn1nc(c(c1)c1nc(nc(c1)C(F)(F)F)N1CCCCCC1)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 C17H22F3N5 MW 353.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22F3N5/c1-3-25-11-13(12(2)23-25)14-10-15(17(18,19)20)22-16(21-14)24-8-6-4-5-7-9-24/h10-11H,3-9H2,1-2H3InChIKey
HFKFFSXANYKEEO-UHFFFAOYSA-NSynonyms
1174857-55-61(4(1ethyl3methyl1Hpyrazol4yl)6(trifluoromethyl)pyrimidin2yl)azepane
1(4(1ethyl3methylpyrazol4yl)6(trifluoromethyl)pyrimidin2yl)azepane
1174857556
CCN1C=C(C(=N1)C)C2=CC(=NC(=N2)N3CCCCCC3)C(F)(F)F
InChI=1SC17H22F3N5c13251113(12(2)2325)141015(17(1819)20)2216(2114)2486457924h1011H39H212H3
MFCD09475234
ZINC000036618624
ZINC36618624
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