Vitas-M small molecule compound

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

Catalog ID
STK889403
SMILES OCCNc1nc(N2CCCCCC2)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/c13-10-9(18(20)21)11(16-12(15-10)14-5-8-19)17-6-3-1-2-4-7-17/h19H,1-8H2,(H3,13,14,15,16)
InChIKey
PBUYYYIGTXEEQE-UHFFFAOYSA-N
Synonyms
674330-23-5
2((4amino6(azepan1yl)5nitropyrimidin2yl)amino)ethanol
2((4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)AMINO)ETHAN1OL
674330235
C1CCCN(CC1)C2=C(C(=NC(=N2)NCCO)N)(N+)(=O)(O)
InChI=1SC12H20N6O3c13109(18(20)21)11(1612(1510)145819)1763124717h19H18H2(H313141516)
MFCD04082055
OCCNc1nc(N2CCCCCC2)c(c(n1)N)(N+)(=O)(O)
ZINC000005178009
ZINC05178009
ZINC5178009

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Available files

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