Vitas-M small molecule compound
6-(azepan-1-yl)-N~2~-(3-chlorophenyl)-5-nitropyrimidine-2,4-diamine
Catalog ID
STK889409
SMILES Clc1cccc(c1)Nc1nc(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 C16H19ClN6O2 MW 362.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19ClN6O2/c17-11-6-5-7-12(10-11)19-16-20-14(18)13(23(24)25)15(21-16)22-8-3-1-2-4-9-22/h5-7,10H,1-4,8-9H2,(H3,18,19,20,21)InChIKey
LFWVNLRYCZHXQX-UHFFFAOYSA-NSynonyms
714920-65-7(4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)(3CHLOROPHENYL)AMINE
6(AZEPAN1YL)2N(3CHLOROPHENYL)5NITROPYRIMIDINE24DIAMINE
6(azepan1yl)N~2~(3chlorophenyl)5nitropyrimidine24diamine
6(AZEPAN1YL)N2(3CHLOROPHENYL)5NITROPYRIMIDINE24DIAMINE
714920657
C1CCCN(CC1)C2=C(C(=NC(=N2)NC3=CC(=CC=C3)Cl)N)(N+)(=O)(O)
Clc1cccc(c1)Nc1nc(N2CCCCCC2)c(c(n1)N)(N+)(=O)(O)
InChI=1SC16H19ClN6O2c171165712(1011)19162014(18)13(23(24)25)15(2116)2283124922h5710H1489H2(H318192021)
MFCD04175204
ZINC000017249291
ZINC17249291
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