Vitas-M small molecule compound
3-{[4-(1,3-benzodioxol-5-ylamino)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino}propan-1-ol
Catalog ID
STK890113
SMILES OCCCNc1nc(Nc2ccc3c(c2)OCO3)c2c(n1)n(nc2)c1ccccc1
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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 C21H20N6O3 MW 404.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O3/c28-10-4-9-22-21-25-19(24-14-7-8-17-18(11-14)30-13-29-17)16-12-23-27(20(16)26-21)15-5-2-1-3-6-15/h1-3,5-8,11-12,28H,4,9-10,13H2,(H2,22,24,25,26)InChIKey
ORSVVVJJUPNKCD-UHFFFAOYSA-NSynonyms
3((4(13benzodioxol5ylamino)1phenyl1Hpyrazolo(34d)pyrimidin6yl)amino)propan1ol
3((4(13benzodioxol5ylamino)1phenylpyrazolo(34d)pyrimidin6yl)amino)propan1ol
3((4(2HBENZO(34D)13DIOXOLEN5YLAMINO)1PHENYLPYRAZOLO(54D)PYRIMIDIN6YL)AMINO)PROPAN1OL
C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)NCCCO
InChI=1SC21H20N6O3c28104922212519(2414781718(1114)30132917)16122327(20(16)2621)155213615h1358111228H491013H2(H222242526)
MFCD08534623
ZINC000028406107
ZINC28406107
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