Vitas-M small molecule compound
6-(azepan-1-yl)-N~2~-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4-diamine
Catalog ID
STK889415
SMILES COc1ccc(c(c1)Nc1nc(N)c(c(n1)N1CCCCCC1)[N+](=O)[O-])OC
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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 C18H24N6O4 MW 388.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N6O4/c1-27-12-7-8-14(28-2)13(11-12)20-18-21-16(19)15(24(25)26)17(22-18)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10H2,1-2H3,(H3,19,20,21,22)InChIKey
CRCZKYCPVNSFBF-UHFFFAOYSA-NSynonyms
674362-27-7(4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)(25DIMETHOXYPHENYL)AMINE
6(AZEPAN1YL)2N(25DIMETHOXYPHENYL)5NITROPYRIMIDINE24DIAMINE
6(azepan1yl)N~2~(25dimethoxyphenyl)5nitropyrimidine24diamine
6(AZEPAN1YL)N2(25DIMETHOXYPHENYL)5NITROPYRIMIDINE24DIAMINE
674362277
COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)N)(N+)(=O)(O))N3CCCCCC3
COc1ccc(c(c1)Nc1nc(N)c(c(n1)N1CCCCCC1)(N+)(=O)(O))OC
InChI=1SC18H24N6O4c127127814(282)13(1112)20182116(19)15(24(25)26)17(2218)23953461023h7811H36910H212H3(H319202122)
MFCD04076774
ZINC000005163752
ZINC05163752
ZINC5163752
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