Vitas-M small molecule compound

methyl 4-[3-methyl-6-(pyridin-4-yl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]benzoate

Catalog ID
STK666991
SMILES COC(=O)c1ccc(cc1)n1nc(c2c1nc(cc2C(F)(F)F)c1ccncc1)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 C21H15F3N4O2 MW 412.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N4O2/c1-12-18-16(21(22,23)24)11-17(13-7-9-25-10-8-13)26-19(18)28(27-12)15-5-3-14(4-6-15)20(29)30-2/h3-11H,1-2H3
InChIKey
PAJURTPXLYXABC-UHFFFAOYSA-N
Synonyms

CC1=NN(C2=C1C(=CC(=N2)C3=CC=NC=C3)C(F)(F)F)C4=CC=C(C=C4)C(=O)OC
InChI=1SC21H15F3N4O2c1121816(21(2223)24)1117(13792510813)2619(18)28(2712)155314(4615)20(29)302h311H12H3
methyl4(3methyl6(pyridin4yl)4(trifluoromethyl)1Hpyrazolo(34b)pyridin1yl)benzoate
methyl4(3methyl6pyridin4yl4(trifluoromethyl)pyrazolo(34b)pyridin1yl)benzoate
MFCD08532289
ZINC000009877291
ZINC09877291
ZINC9877291

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Available files

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