Vitas-M small molecule compound

butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate

Catalog ID
STK859351
SMILES CCCCOC(=O)c1ccc(cc1)Nc1ncnc2c1cnn2c1ccc(cc1)Cl

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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 C22H20ClN5O2 MW 421.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O2/c1-2-3-12-30-22(29)15-4-8-17(9-5-15)27-20-19-13-26-28(21(19)25-14-24-20)18-10-6-16(23)7-11-18/h4-11,13-14H,2-3,12H2,1H3,(H,24,25,27)
InChIKey
XDIJWWRHCUFYTP-UHFFFAOYSA-N
Synonyms
797017-39-1
797017391
butyl4((1(4chlorophenyl)1Hpyrazolo(34d)pyrimidin4yl)amino)benzoate
BUTYL4((1(4CHLOROPHENYL)PYRAZOLO(34D)PYRIMIDIN4YL)AMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl
InChI=1SC22H20ClN5O2c123123022(29)154817(9515)272019132628(21(19)25142420)1810616(23)71118h4111314H2312H21H3(H242527)
MFCD03663215
ZINC000002365638
ZINC02365638
ZINC2365638

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Available files

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