Vitas-M small molecule compound

6-(azepan-1-yl)-N~2~-(4-methoxyphenyl)-5-nitropyrimidine-2,4-diamine

Catalog ID
STK889412
SMILES COc1ccc(cc1)Nc1nc(N)c(c(n1)N1CCCCCC1)[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 C17H22N6O3 MW 358.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N6O3/c1-26-13-8-6-12(7-9-13)19-17-20-15(18)14(23(24)25)16(21-17)22-10-4-2-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H3,18,19,20,21)
InChIKey
GIWLEDZAQFZMEZ-UHFFFAOYSA-N
Synonyms
713092-55-8
(4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)(4METHOXYPHENYL)AMINE
6(AZEPAN1YL)2N(4METHOXYPHENYL)5NITROPYRIMIDINE24DIAMINE
6(azepan1yl)N~2~(4methoxyphenyl)5nitropyrimidine24diamine
6(AZEPAN1YL)N2(4METHOXYPHENYL)5NITROPYRIMIDINE24DIAMINE
6AZEPAN1YLN2(4METHOXYPHENYL)5NITROPYRIMIDINE24DIAMINE
713092558
COC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)(N+)(=O)(O))N3CCCCCC3
COc1ccc(cc1)Nc1nc(N)c(c(n1)N1CCCCCC1)(N+)(=O)(O)
InChI=1SC17H22N6O3c126138612(7913)19172015(18)14(23(24)25)16(2117)221042351122h69H251011H21H3(H318192021)
MFCD04183375
ZINC000009286809
ZINC09286809
ZINC9286809

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.