Vitas-M small molecule compound

3-{[6-(cycloheptylamino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-1-ol

Catalog ID
STK653192
SMILES OCCCNc1nc(NC2CCCCCC2)nc2c1cnn2C

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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 C16H26N6O MW 318.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H26N6O/c1-22-15-13(11-18-22)14(17-9-6-10-23)20-16(21-15)19-12-7-4-2-3-5-8-12/h11-12,23H,2-10H2,1H3,(H2,17,19,20,21)
InChIKey
BEFIYHMHWKQHIX-UHFFFAOYSA-N
Synonyms
1144463-23-9
1144463239
3((6(cycloheptylamino)1methyl1Hpyrazolo(34d)pyrimidin4yl)amino)propan1ol
3((6(cycloheptylamino)1methylpyrazolo(34d)pyrimidin4yl)amino)propan1ol
CN1C2=C(C=N1)C(=NC(=N2)NC3CCCCCC3)NCCCO
InChI=1SC16H26N6Oc1221513(111822)14(17961023)2016(2115)191274235812h111223H210H21H3(H217192021)
MFCD12211339
ZINC000032071778
ZINC32071778

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Available files

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