Vitas-M small molecule compound
6-(azepan-1-yl)-N~2~-[3-(diethylamino)propyl]-5-nitropyrimidine-2,4-diamine
Catalog ID
STL048864
SMILES CCN(CCCNc1nc(N)c(c(n1)N1CCCCCC1)[N+](=O)[O-])CC
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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 C17H31N7O2 MW 365.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H31N7O2/c1-3-22(4-2)11-9-10-19-17-20-15(18)14(24(25)26)16(21-17)23-12-7-5-6-8-13-23/h3-13H2,1-2H3,(H3,18,19,20,21)InChIKey
JCLVDYJDSHXOTC-UHFFFAOYSA-NSynonyms
713088-84-76(AZEPAN1YL)2N(3(DIETHYLAMINO)PROPYL)5NITROPYRIMIDINE24DIAMINE
6(azepan1yl)N~2~(3(diethylamino)propyl)5nitropyrimidine24diamine
6(AZEPAN1YL)N2(3(DIETHYLAMINO)PROPYL)5NITROPYRIMIDINE24DIAMINE
6AZEPAN1YLN2(3(DIETHYLAMINO)PROPYL)5NITROPYRIMIDINE24DIAMINE
713088847
CCN(CC)CCCNC1=NC(=C(C(=N1)N)(N+)(=O)(O))N2CCCCCC2
CCN(CCCNc1nc(N)c(c(n1)N1CCCCCC1)(N+)(=O)(O))CC
InChI=1SC17H31N7O2c1322(42)1191019172015(18)14(24(25)26)16(2117)231275681323h313H212H3(H318192021)
MFCD04179902
ZINC000005157819
ZINC5157819
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