Vitas-M small molecule compound
6-(azepan-1-yl)-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4-diamine
Catalog ID
STK889406
SMILES Clc1ccc(cc1)CNc1nc(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 C17H21ClN6O2 MW 376.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClN6O2/c18-13-7-5-12(6-8-13)11-20-17-21-15(19)14(24(25)26)16(22-17)23-9-3-1-2-4-10-23/h5-8H,1-4,9-11H2,(H3,19,20,21,22)InChIKey
RCMSHSLEXJQTGT-UHFFFAOYSA-NSynonyms
714918-56-6(4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)((4CHLOROPHENYL)METHYL)AMINE
6(AZEPAN1YL)2N((4CHLOROPHENYL)METHYL)5NITROPYRIMIDINE24DIAMINE
6(azepan1yl)N~2~(4chlorobenzyl)5nitropyrimidine24diamine
6(AZEPAN1YL)N2(4CHLOROBENZYL)5NITROPYRIMIDINE24DIAMINE
714918566
C1CCCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=C(C=C3)Cl)N)(N+)(=O)(O)
Clc1ccc(cc1)CNc1nc(N)c(c(n1)N1CCCCCC1)(N+)(=O)(O)
InChI=1SC17H21ClN6O2c18137512(6813)1120172115(19)14(24(25)26)16(2217)23931241023h58H14911H2(H319202122)
MFCD04172260
ZINC000005188739
ZINC05188739
ZINC5188739
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