Vitas-M small molecule compound
6-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Catalog ID
STK556176
SMILES [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)N1CCC(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 C22H30N6O2 MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N6O2/c23-20-19(28(29)30)21(26-12-6-1-2-7-13-26)25-22(24-20)27-14-10-18(11-15-27)16-17-8-4-3-5-9-17/h3-5,8-9,18H,1-2,6-7,10-16H2,(H2,23,24,25)InChIKey
JOPMGMFCEKXVQY-UHFFFAOYSA-NSynonyms
674363-55-4(O)(N+)(=O)c1c(N)nc(nc1N1CCCCCC1)N1CCC(CC1)Cc1ccccc1
6(azepan1yl)2(4benzylpiperidin1yl)5nitropyrimidin4amine
674363554
6AZAPERHYDROEPINYL5NITRO2(4BENZYLPIPERIDYL)PYRIMIDINE4YLAMINE
C1CCCN(CC1)C2=C(C(=NC(=N2)N3CCC(CC3)CC4=CC=CC=C4)N)(N+)(=O)(O)
InChI=1SC22H30N6O2c232019(28(29)30)21(261261271326)2522(2420)27141018(111527)16178435917h358918H12671016H2(H2232425)
MFCD04016210
ZINC000005029574
ZINC05029574
ZINC5029574
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