Vitas-M small molecule compound
6-(azepan-1-yl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4-diamine
Catalog ID
STL352485
SMILES C=CCNc1nc(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 C13H20N6O2 MW 292.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20N6O2/c1-2-7-15-13-16-11(14)10(19(20)21)12(17-13)18-8-5-3-4-6-9-18/h2H,1,3-9H2,(H3,14,15,16,17)InChIKey
MLMRXOIDAFLBMF-UHFFFAOYSA-NSynonyms
674363-67-8(4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)PROP2ENYLAMINE
6(AZEPAN1YL)5NITRO2NPROP2ENYLPYRIMIDINE24DIAMINE
6(azepan1yl)5nitroN~2~(prop2en1yl)pyrimidine24diamine
6(AZEPAN1YL)5NITRON2(PROP2EN1YL)PYRIMIDINE24DIAMINE
674363678
C=CCNC1=NC(=C(C(=N1)N)(N+)(=O)(O))N2CCCCCC2
C=CCNc1nc(N2CCCCCC2)c(c(n1)N)(N+)(=O)(O)
InChI=1SC13H20N6O2c12715131611(14)10(19(20)21)12(1713)1885346918h2H139H2(H314151617)
MFCD04076565
N2allyl6(azepan1yl)5nitropyrimidine24diamine
ZINC000005180647
ZINC05180647
ZINC5180647
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