Vitas-M small molecule compound

9-ethyl-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
STL395979
SMILES CCC1CCc2c(C1)sc1c2c2nc(nn2cn1)Cn1nc(cc1C)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 C19H19F3N6S MW 420.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N6S/c1-3-11-4-5-12-13(7-11)29-18-16(12)17-24-15(26-28(17)9-23-18)8-27-10(2)6-14(25-27)19(20,21)22/h6,9,11H,3-5,7-8H2,1-2H3
InChIKey
IWHNLDXOKOBQEG-UHFFFAOYSA-N
Synonyms
1005652-07-2
1005652072
9ethyl2((5methyl3(trifluoromethyl)1Hpyrazol1yl)methyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CN5C(=CC(=N5)C(F)(F)F)C
InChI=1SC19H19F3N6Sc1311451213(711)291816(12)172415(2628(17)92318)82710(2)614(2527)19(2021)22h6911H3578H212H3
MFCD04053509
ZINC000002790076
ZINC000002790077

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Available files

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