Vitas-M small molecule compound

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

Catalog ID
STK864575
SMILES Cc1cccc(c1)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 C18H21N5 MW 307.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5/c1-14-7-6-8-15(11-14)23-18-16(12-21-23)17(19-13-20-18)22-9-4-2-3-5-10-22/h6-8,11-13H,2-5,9-10H2,1H3
InChIKey
GYWCGDHILPYRFO-UHFFFAOYSA-N
Synonyms
393844-99-0
393844990
4(azepan1yl)1(3methylphenyl)1Hpyrazolo(34d)pyrimidine
4(AZEPAN1YL)1(3METHYLPHENYL)PYRAZOLO(34D)PYRIMIDINE
4(azepan1yl)1(mtolyl)1Hpyrazolo(34d)pyrimidine
CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CCCCCC4
InChI=1SC18H21N5c11476815(1114)231816(122123)17(19132018)22942351022h681113H25910H21H3
MFCD03666058
ZINC000000544524
ZINC00544524
ZINC544524

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Available files

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