Vitas-M small molecule compound
8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-[2-(4-nitrophenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK635700
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Cn1c(nc2c1c(=O)n(c(=O)n2C)C)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 C26H27N7O5 MW 517.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N7O5/c1-28-23-22(24(35)29(2)26(28)36)32(17-21(34)19-8-10-20(11-9-19)33(37)38)25(27-23)31-14-12-30(13-15-31)16-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3InChIKey
PKTGVVAPHONJNR-UHFFFAOYSA-NSynonyms
304873-14-1304873141
8(4benzylpiperazin1yl)13dimethyl7(2(4nitrophenyl)2oxoethyl)1Hpurine26(3H7H)dione
8(4benzylpiperazin1yl)13dimethyl7(2(4nitrophenyl)2oxoethyl)37dihydro1Hpurine26dione
8(4BENZYLPIPERAZIN1YL)13DIMETHYL7(2(4NITROPHENYL)2OXOETHYL)PURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC26H27N7O5c1282322(24(35)29(2)26(28)36)32(1721(34)1981020(11919)33(37)38)25(2723)31141230(131531)16186435718h311H1217H212H3
MFCD01085413
O=C(c1ccc(cc1)(N+)(=O)(O))Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)Cc1ccccc1
ZINC000057165731
ZINC57165731
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