Vitas-M small molecule compound
2-(azepan-1-yl)-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
Catalog ID
STK844924
SMILES COc1ccc(cc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1)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)20-17-15(24(25)26)16(19)21-18(22-17)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10H2,1-2H3,(H3,19,20,21,22)InChIKey
SDVFEKAKYBSEJX-UHFFFAOYSA-NSynonyms
674329-05-6(6AMINO2AZAPERHYDROEPINYL5NITROPYRIMIDIN4YL)(25DIMETHOXYPHENYL)AMINE
2(AZEPAN1YL)4N(25DIMETHOXYPHENYL)5NITROPYRIMIDINE46DIAMINE
2(azepan1yl)N(25dimethoxyphenyl)5nitropyrimidine46diamine
2(azepan1yl)N4(25dimethoxyphenyl)5nitropyrimidine46diamine
674329056
COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2(N+)(=O)(O))N)N3CCCCCC3
COc1ccc(cc1Nc1nc(nc(c1(N+)(=O)(O))N)N1CCCCCC1)OC
InChI=1SC18H24N6O4c127127814(282)13(1112)201715(24(25)26)16(19)2118(2217)23953461023h7811H36910H212H3(H319202122)
MFCD04006846
ZINC000004306272
ZINC04306272
ZINC4306272
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