Vitas-M small molecule compound
6-(azepan-1-yl)-N~2~-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine
Catalog ID
STK845100
SMILES COCCNc1nc(N2CCCCCC2)c(c(n1)N)[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 C13H22N6O3 MW 310.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H22N6O3/c1-22-9-6-15-13-16-11(14)10(19(20)21)12(17-13)18-7-4-2-3-5-8-18/h2-9H2,1H3,(H3,14,15,16,17)InChIKey
TUHLCFBWCFPADA-UHFFFAOYSA-NSynonyms
672343-94-1(4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)(2METHOXYETHYL)AMINE
6(AZEPAN1YL)2N(2METHOXYETHYL)5NITROPYRIMIDINE24DIAMINE
6(azepan1yl)N~2~(2methoxyethyl)5nitropyrimidine24diamine
6(AZEPAN1YL)N2(2METHOXYETHYL)5NITROPYRIMIDINE24DIAMINE
672343941
COCCNC1=NC(=C(C(=N1)N)(N+)(=O)(O))N2CCCCCC2
COCCNc1nc(N2CCCCCC2)c(c(n1)N)(N+)(=O)(O)
InChI=1SC13H22N6O3c1229615131611(14)10(19(20)21)12(1713)1874235818h29H21H3(H314151617)
MFCD04012759
ZINC000004305943
ZINC04305943
ZINC4305943
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