Vitas-M small molecule compound
2-(azepan-1-yl)-N-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine
Catalog ID
STK844961
SMILES COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1
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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 C17H22N6O3 MW 358.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N6O3/c1-26-13-9-5-4-8-12(13)19-16-14(23(24)25)15(18)20-17(21-16)22-10-6-2-3-7-11-22/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H3,18,19,20,21)InChIKey
UHHOBDQKRPPOFA-UHFFFAOYSA-NSynonyms
674294-29-2(6AMINO2AZAPERHYDROEPINYL5NITROPYRIMIDIN4YL)(2METHOXYPHENYL)AMINE
2(AZEPAN1YL)4N(2METHOXYPHENYL)5NITROPYRIMIDINE46DIAMINE
2(azepan1yl)N(2methoxyphenyl)5nitropyrimidine46diamine
2(azepan1yl)N4(2methoxyphenyl)5nitropyrimidine46diamine
2AZEPAN1YLN(2METHOXYPHENYL)5NITROPYRIMIDINE46DIAMINE
674294292
COC1=CC=CC=C1NC2=NC(=NC(=C2(N+)(=O)(O))N)N3CCCCCC3
COc1ccccc1Nc1nc(nc(c1(N+)(=O)(O))N)N1CCCCCC1
InChI=1SC17H22N6O3c12613954812(13)191614(23(24)25)15(18)2017(2116)221062371122h4589H23671011H21H3(H318192021)
MFCD04008072
ZINC000004306403
ZINC04306403
ZINC4306403
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