Vitas-M small molecule compound
2-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK308513
SMILES Cn1nc(c(c1c1nn2c(n1)c1c(nc2)sc2c1CCCC2)Cl)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 C16H12ClF3N6S MW 412.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClF3N6S/c1-25-11(10(17)12(23-25)16(18,19)20)13-22-14-9-7-4-2-3-5-8(7)27-15(9)21-6-26(14)24-13/h6H,2-5H2,1H3InChIKey
HMBRJYFXMIDQTL-UHFFFAOYSA-NSynonyms
1005572-46-21005572462
2(4chloro1methyl3(trifluoromethyl)1Hpyrazol5yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CN1C(=C(C(=N1)C(F)(F)F)Cl)C2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCC5
InChI=1SC16H12ClF3N6Sc12511(10(17)12(2325)16(1819)20)1322149742358(7)2715(9)21626(14)2413h6H25H21H3
MFCD04046762
ZINC000002796923
ZINC02796923
ZINC2796923
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