Vitas-M small molecule compound
6-(azepan-1-yl)-N~2~-benzyl-5-nitropyrimidine-2,4-diamine
Catalog ID
STK555651
SMILES [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)NCc1ccccc1
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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 C17H22N6O2 MW 342.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N6O2/c18-15-14(23(24)25)16(22-10-6-1-2-7-11-22)21-17(20-15)19-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H3,18,19,20,21)InChIKey
FUAOSIIIYCZDCS-UHFFFAOYSA-NSynonyms
676157-80-5(4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)BENZYLAMINE
(O)(N+)(=O)c1c(N)nc(nc1N1CCCCCC1)NCc1ccccc1
6(AZEPAN1YL)2NBENZYL5NITROPYRIMIDINE24DIAMINE
6(azepan1yl)N~2~benzyl5nitropyrimidine24diamine
6(AZEPAN1YL)N2BENZYL5NITROPYRIMIDINE24DIAMINE
676157805
C1CCCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)(N+)(=O)(O)
InChI=1SC17H22N6O2c181514(23(24)25)16(221061271122)2117(2015)1912138435913h3589H12671012H2(H318192021)
MFCD04012662
ZINC000005025566
ZINC05025566
ZINC5025566
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