Vitas-M small molecule compound

6-(azepan-1-yl)-N~2~-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine

Catalog ID
STK889410
SMILES COc1cccc(c1)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/c1-26-13-8-6-7-12(11-13)19-17-20-15(18)14(23(24)25)16(21-17)22-9-4-2-3-5-10-22/h6-8,11H,2-5,9-10H2,1H3,(H3,18,19,20,21)
InChIKey
NKNIMTWECQQBIX-UHFFFAOYSA-N
Synonyms
714920-23-7
(4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)(3METHOXYPHENYL)AMINE
6(AZEPAN1YL)2N(3METHOXYPHENYL)5NITROPYRIMIDINE24DIAMINE
6(azepan1yl)N~2~(3methoxyphenyl)5nitropyrimidine24diamine
6(AZEPAN1YL)N2(3METHOXYPHENYL)5NITROPYRIMIDINE24DIAMINE
714920237
COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)N)(N+)(=O)(O))N3CCCCCC3
COc1cccc(c1)Nc1nc(N)c(c(n1)N1CCCCCC1)(N+)(=O)(O)
InChI=1SC17H22N6O3c1261386712(1113)19172015(18)14(23(24)25)16(2117)22942351022h6811H25910H21H3(H318192021)
MFCD05693198
ZINC000009358233
ZINC09358233
ZINC9358233

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Available files

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