Vitas-M small molecule compound
6-(azepan-1-yl)-N~2~-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine
Catalog ID
STK556140
SMILES Clc1ccc(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 C16H19ClN6O2 MW 362.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19ClN6O2/c17-11-5-7-12(8-6-11)19-16-20-14(18)13(23(24)25)15(21-16)22-9-3-1-2-4-10-22/h5-8H,1-4,9-10H2,(H3,18,19,20,21)InChIKey
HLRSQWYZZWKQAB-UHFFFAOYSA-NSynonyms
672942-21-1(4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)(4CHLOROPHENYL)AMINE
6(AZEPAN1YL)2N(4CHLOROPHENYL)5NITROPYRIMIDINE24DIAMINE
6(azepan1yl)N~2~(4chlorophenyl)5nitropyrimidine24diamine
6(AZEPAN1YL)N2(4CHLOROPHENYL)5NITROPYRIMIDINE24DIAMINE
672942211
6AZEPAN1YLN2(4CHLOROPHENYL)5NITROPYRIMIDINE24DIAMINE
C1CCCN(CC1)C2=C(C(=NC(=N2)NC3=CC=C(C=C3)Cl)N)(N+)(=O)(O)
Clc1ccc(cc1)Nc1nc(N)c(c(n1)N1CCCCCC1)(N+)(=O)(O)
InChI=1SC16H19ClN6O2c17115712(8611)19162014(18)13(23(24)25)15(2116)22931241022h58H14910H2(H318192021)
MFCD04015970
ZINC000005029464
ZINC05029464
ZINC5029464
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