Vitas-M small molecule compound
2-[2-chloro-6-(dimethylamino)-9H-purin-9-yl]-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide
Catalog ID
STL549393
SMILES O=C(N(C[C@@H]1CCCN2[C@@H]1CCCC2)C)Cn1cnc2c1nc(Cl)nc2N(C)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 C20H30ClN7O MW 419.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H30ClN7O/c1-25(2)18-17-19(24-20(21)23-18)28(13-22-17)12-16(29)26(3)11-14-7-6-10-27-9-5-4-8-15(14)27/h13-15H,4-12H2,1-3H3/t14-,15+/m0/s1InChIKey
YPKAQQUWYZQEGT-LSDHHAIUSA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)2(2chloro6(dimethylamino)purin9yl)~(N)methylacetamide
132351866
2(2chloro6(dimethylamino)9Hpurin9yl)NmethylN(((1S9aR)octahydro1Hquinolizin1yl)methyl)acetamide
2(2chloro6(dimethylamino)9Hpurin9yl)NmethylN((1S9aR)octahydro2Hquinolizin1ylmethyl)acetamide
InChI=1SC20H30ClN7Oc125(2)181719(2420(21)2318)28(132217)1216(29)26(3)1114761027954815(14)27h1315H412H213H3t1415+m0s1
O=C(N(C(C@@H)1CCCN2(C@@H)1CCCC2)C)Cn1cnc2c1nc(Cl)nc2N(C)C
ZINC000827883363
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