Vitas-M small molecule compound
9-ethyl-N-(3-nitrophenyl)-2-(octahydroisoquinolin-2(1H)-yl)-9H-purin-6-amine
Catalog ID
STL411715
SMILES CCn1cnc2c1nc(nc2Nc1cccc(c1)[N+](=O)[O-])N1CCC2C(C1)CCCC2
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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 C22H27N7O2 MW 421.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N7O2/c1-2-27-14-23-19-20(24-17-8-5-9-18(12-17)29(30)31)25-22(26-21(19)27)28-11-10-15-6-3-4-7-16(15)13-28/h5,8-9,12,14-16H,2-4,6-7,10-11,13H2,1H3,(H,24,25,26)InChIKey
WKVMTXJWGZKVOF-UHFFFAOYSA-NSynonyms
2(344a56788aoctahydro1Hisoquinolin2yl)9ethylN(3nitrophenyl)purin6amine
9ethylN(3nitrophenyl)2(octahydroisoquinolin2(1H)yl)9Hpurin6amine
CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)(N+)(=O)(O))N4CCC5CCCCC5C4
CCn1cnc2c1nc(nc2Nc1cccc(c1)(N+)(=O)(O))N1CCC2C(C1)CCCC2
InChI=1SC22H27N7O2c122714231920(241785918(1217)29(30)31)2522(2621(19)27)28111015634716(15)1328h589121416H2467101113H21H3(H242526)
MFCD28577947
ZINC000028629319
ZINC000249698959
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