Vitas-M small molecule compound

4-(azepan-1-yl)-1-(3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidine

Catalog ID
STK889766
SMILES Cc1ccc(cc1C)n1ncc2c1ncnc2N1CCCCCC1

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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 C19H23N5 MW 321.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N5/c1-14-7-8-16(11-15(14)2)24-19-17(12-22-24)18(20-13-21-19)23-9-5-3-4-6-10-23/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKey
OAPCJBMBKSJNLM-UHFFFAOYSA-N
Synonyms

4(azepan1yl)1(34dimethylphenyl)1Hpyrazolo(34d)pyrimidine
4(azepan1yl)1(34dimethylphenyl)pyrazolo(34d)pyrimidine
4AZAPERHYDROEPINYL1(34DIMETHYLPHENYL)PYRAZOLO(54D)PYRIMIDINE
CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCCCCC4)C
InChI=1SC19H23N5c1147816(1115(14)2)241917(122224)18(20132119)23953461023h781113H36910H212H3
MFCD05956011
ZINC000008583064
ZINC08583064
ZINC8583064

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Available files

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