Vitas-M small molecule compound
6-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Catalog ID
STK889419
SMILES [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)N1CCN(CC1)Cc1ccccc1
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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 C21H29N7O2 MW 411.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N7O2/c22-19-18(28(29)30)20(26-10-6-1-2-7-11-26)24-21(23-19)27-14-12-25(13-15-27)16-17-8-4-3-5-9-17/h3-5,8-9H,1-2,6-7,10-16H2,(H2,22,23,24)InChIKey
HGUCEZYESSCDDH-UHFFFAOYSA-NSynonyms
674294-58-7(O)(N+)(=O)c1c(N)nc(nc1N1CCCCCC1)N1CCN(CC1)Cc1ccccc1
6(azepan1yl)2(4benzylpiperazin1yl)5nitropyrimidin4amine
674294587
6AZAPERHYDROEPINYL5NITRO2(4BENZYLPIPERAZINYL)PYRIMIDINE4YLAMINE
6AZEPAN1YL2(4BENZYLPIPERAZIN1YL)5NITROPYRIMIDIN4AMINE
C1CCCN(CC1)C2=C(C(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)N)(N+)(=O)(O)
InChI=1SC21H29N7O2c221918(28(29)30)20(261061271126)2421(2319)27141225(131527)16178435917h3589H12671016H2(H2222324)
MFCD04081083
ZINC000020357663
ZINC20357663
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