Vitas-M small molecule compound

2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Catalog ID
STK305538
SMILES Cc1cc(nn1Cc1nn2c(n1)c1c(nc2)sc2c1CCC2)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 C16H13F3N6S MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F3N6S/c1-8-5-11(16(17,18)19)22-24(8)6-12-21-14-13-9-3-2-4-10(9)26-15(13)20-7-25(14)23-12/h5,7H,2-4,6H2,1H3
InChIKey
ZKPPKANNVAYIHY-UHFFFAOYSA-N
Synonyms
1005627-86-0
1005627860
2((5methyl3(trifluoromethyl)1Hpyrazol1yl)methyl)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(15c)pyrimidine
CC1=CC(=NN1CC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCC5)C(F)(F)F
InChI=1SC16H13F3N6Sc18511(16(1718)19)2224(8)612211413932410(9)2615(13)20725(14)2312h57H246H21H3
MFCD04050756
ZINC000002786642
ZINC02786642
ZINC2786642

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.