Vitas-M small molecule compound

N-(4-methoxybenzyl)-1-methyl-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

Catalog ID
STK657451
SMILES COc1ccc(cc1)CNc1nc(N2CCCC2)c2c(n1)n(C)nc2

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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 C18H22N6O MW 338.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N6O/c1-23-16-15(12-20-23)17(24-9-3-4-10-24)22-18(21-16)19-11-13-5-7-14(25-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,21,22)
InChIKey
XURSCWPAVUQWST-UHFFFAOYSA-N
Synonyms
1144436-85-0
1144436850
CN1C2=C(C=N1)C(=NC(=N2)NCC3=CC=C(C=C3)OC)N4CCCC4
InChI=1SC18H22N6Oc1231615(122023)17(249341024)2218(2116)1911135714(252)8613h5812H34911H212H3(H192122)
MFCD12217546
N((4methoxyphenyl)methyl)1methyl4pyrrolidin1ylpyrazolo(34d)pyrimidin6amine
N(4methoxybenzyl)1methyl4(pyrrolidin1yl)1Hpyrazolo(34d)pyrimidin6amine
ZINC000032103680
ZINC32103680

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Available files

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