Vitas-M small molecule compound
9-(2-methylbutan-2-yl)-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL402236
SMILES CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)Cn1nc(cc1C)C(F)(F)F)(C)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 C22H25F3N6S MW 462.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25F3N6S/c1-5-21(3,4)13-6-7-14-15(9-13)32-20-18(14)19-27-17(29-31(19)11-26-20)10-30-12(2)8-16(28-30)22(23,24)25/h8,11,13H,5-7,9-10H2,1-4H3InChIKey
LPIKEAPRZKXPKP-UHFFFAOYSA-NSynonyms
1005607-69-11005607691
9(2methylbutan2yl)2((5methyl3(trifluoromethyl)1Hpyrazol1yl)methyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CN5C(=CC(=N5)C(F)(F)F)C
InChI=1SC22H25F3N6Sc1521(34)13671415(913)322018(14)192717(2931(19)112620)103012(2)816(2830)22(2324)25h81113H57910H214H3
MFCD04133564
ZINC000002799692
ZINC000002799693
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