Vitas-M small molecule compound
2-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-9-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK306210
SMILES CCC1CCc2c(C1)sc1c2c2nc(nn2cn1)c1n(C)nc(c1Cl)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/c1-3-8-4-5-9-10(6-8)29-17-11(9)16-24-15(26-28(16)7-23-17)13-12(19)14(18(20,21)22)25-27(13)2/h7-8H,3-6H2,1-2H3InChIKey
NKDISOGYGSKRBU-UHFFFAOYSA-NSynonyms
1005564-69-11005564691
2(4chloro1methyl3(trifluoromethyl)1Hpyrazol5yl)9ethyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=C(C(=NN5C)C(F)(F)F)Cl
InChI=1SC18H16ClF3N6Sc13845910(68)291711(9)162415(2628(16)72317)1312(19)14(18(2021)22)2527(13)2h78H36H212H3
MFCD04053512
ZINC000002789529
ZINC000002789530
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