Vitas-M small molecule compound
1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK556359
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1
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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 C20H22N6O5 MW 426.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O5/c1-22-17-16(18(28)23(2)20(22)29)25(19(21-17)24-9-4-3-5-10-24)12-15(27)13-7-6-8-14(11-13)26(30)31/h6-8,11H,3-5,9-10,12H2,1-2H3InChIKey
GYYXHHKBWGWRPB-UHFFFAOYSA-NSynonyms
573693-49-913dimethyl7(2(3nitrophenyl)2oxoethyl)8(piperidin1yl)1Hpurine26(3H7H)dione
13dimethyl7(2(3nitrophenyl)2oxoethyl)8(piperidin1yl)37dihydro1Hpurine26dione
13DIMETHYL7(2(3NITROPHENYL)2OXOETHYL)8PIPERIDIN1YLPURINE26DIONE
573693499
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC20H22N6O5c1221716(18(28)23(2)20(22)29)25(19(2117)2494351024)1215(27)1376814(1113)26(30)31h6811H3591012H212H3
MFCD04017449
O=C(c1cccc(c1)(N+)(=O)(O))Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1
ZINC000009312317
ZINC09312317
ZINC9312317
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