Vitas-M small molecule compound
6-(4-benzylpiperidin-1-yl)-N~2~-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine
Catalog ID
STL053688
SMILES CN(CCCNc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-])C
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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 C21H31N7O2 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N7O2/c1-26(2)12-6-11-23-21-24-19(22)18(28(29)30)20(25-21)27-13-9-17(10-14-27)15-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3,(H3,22,23,24,25)InChIKey
IDNOXOQTGGVJPD-UHFFFAOYSA-NSynonyms
714288-91-26(4BENZYLPIPERIDIN1YL)2N(3(DIMETHYLAMINO)PROPYL)5NITROPYRIMIDINE24DIAMINE
6(4benzylpiperidin1yl)N~2~(3(dimethylamino)propyl)5nitropyrimidine24diamine
6(4BENZYLPIPERIDIN1YL)N2(3(DIMETHYLAMINO)PROPYL)5NITROPYRIMIDINE24DIAMINE
714288912
CN(C)CCCNC1=NC(=C(C(=N1)N)(N+)(=O)(O))N2CCC(CC2)CC3=CC=CC=C3
CN(CCCNc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)(N+)(=O)(O))C
InChI=1SC21H31N7O2c126(2)1261123212419(22)18(28(29)30)20(2521)2713917(101427)15167435816h357817H6915H212H3(H322232425)
MFCD03491720
ZINC000005488627
ZINC5488627
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