Vitas-M small molecule compound

2-{[4-amino-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]amino}ethanol

Catalog ID
STL059455
SMILES OCCNc1nc(N2CCCC(C2)C)c(c(n1)N)[N+](=O)[O-]

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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 C12H20N6O3 MW 296.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H20N6O3/c1-8-3-2-5-17(7-8)11-9(18(20)21)10(13)15-12(16-11)14-4-6-19/h8,19H,2-7H2,1H3,(H3,13,14,15,16)
InChIKey
PSJPVKXVYZZAET-UHFFFAOYSA-N
Synonyms
716339-92-3
2((4amino6(3methylpiperidin1yl)5nitropyrimidin2yl)amino)ethanol
2((4AMINO6(3METHYLPIPERIDYL)5NITROPYRIMIDIN2YL)AMINO)ETHAN1OL
716339923
CC1CCCN(C1)C2=C(C(=NC(=N2)NCCO)N)(N+)(=O)(O)
InChI=1SC12H20N6O3c1832517(78)119(18(20)21)10(13)1512(1611)144619h819H27H21H3(H313141516)
MFCD04195468
OCCNc1nc(N2CCCC(C2)C)c(c(n1)N)(N+)(=O)(O)
ZINC000005249701
ZINC000005249702

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Available files

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