Vitas-M small molecule compound
2-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL397602
SMILES CC1CCc2c(C1)sc1c2c2nc(nn2cn1)Cn1nc(c(c1C)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 C18H16ClF3N6S MW 440.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClF3N6S/c1-8-3-4-10-11(5-8)29-17-13(10)16-24-12(25-28(16)7-23-17)6-27-9(2)14(19)15(26-27)18(20,21)22/h7-8H,3-6H2,1-2H3InChIKey
LUYCCKKNINWCRM-UHFFFAOYSA-NSynonyms
1005564-81-71005564817
2((4chloro5methyl3(trifluoromethyl)1Hpyrazol1yl)methyl)9methyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CN5C(=C(C(=N5)C(F)(F)F)Cl)C
InChI=1SC18H16ClF3N6Sc18341011(58)291713(10)162412(2528(16)72317)6279(2)14(19)15(2627)18(2021)22h78H36H212H3
MFCD04051024
ZINC000002789609
ZINC000002789610
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