Vitas-M small molecule compound
butyl 4-{[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
Catalog ID
STK858928
SMILES CCCCOC(=O)c1ccc(cc1)Nc1ncnc2c1cnn2c1cccc(c1)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/c1-2-3-11-30-22(29)15-7-9-17(10-8-15)27-20-19-13-26-28(21(19)25-14-24-20)18-6-4-5-16(23)12-18/h4-10,12-14H,2-3,11H2,1H3,(H,24,25,27)InChIKey
KSEBKELQHSMWKJ-UHFFFAOYSA-NSynonyms
butyl4((1(3chlorophenyl)1Hpyrazolo(34d)pyrimidin4yl)amino)benzoate
butyl4((1(3chlorophenyl)pyrazolo(34d)pyrimidin4yl)amino)benzoate
BUTYL4((1(3CHLOROPHENYL)PYRAZOLO(45E)PYRIMIDIN4YL)AMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl
InChI=1SC22H20ClN5O2c123113022(29)157917(10815)272019132628(21(19)25142420)1864516(23)1218h4101214H2311H21H3(H242527)
MFCD05956744
ZINC000017270592
ZINC17270592
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