Vitas-M small molecule compound

2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}butan-1-ol

Catalog ID
STK859394
SMILES CCC(Nc1ncnc2c1cnn2c1ccc(cc1)Cl)CO

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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 C15H16ClN5O MW 317.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16ClN5O/c1-2-11(8-22)20-14-13-7-19-21(15(13)18-9-17-14)12-5-3-10(16)4-6-12/h3-7,9,11,22H,2,8H2,1H3,(H,17,18,20)
InChIKey
WFGJPSRVWGNXNX-UHFFFAOYSA-N
Synonyms
393821-31-3
2((1(4chlorophenyl)1Hpyrazolo(34d)pyrimidin4yl)amino)butan1ol
2((1(4CHLOROPHENYL)PYRAZOLO(34D)PYRIMIDIN4YL)AMINO)BUTAN1OL
393821313
CCC(CO)NC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl
InChI=1SC15H16ClN5Oc1211(822)20141371921(15(13)1891714)125310(16)4612h3791122H28H21H3(H171820)
MFCD03474932
ZINC000000464794
ZINC000002683840
ZINC00464794

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Available files

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