Vitas-M small molecule compound
8-[(2E)-1-(4-methoxy-3-nitrobenzyl)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK768366
SMILES COc1ccc(cc1[N+](=O)[O-])CN(c1nc2c(n1C)c(=O)n(c(=O)n2C)C)/N=C/c1cccc2c1cccc2
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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 C27H25N7O5 MW 527.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N7O5/c1-30-23-24(31(2)27(36)32(3)25(23)35)29-26(30)33(16-17-12-13-22(39-4)21(14-17)34(37)38)28-15-19-10-7-9-18-8-5-6-11-20(18)19/h5-15H,16H2,1-4H3/b28-15+InChIKey
GWKKRBCRGDKLOA-RWPZCVJISA-NSynonyms
442660-44-8(E)8(1(4methoxy3nitrobenzyl)2(naphthalen1ylmethylene)hydrazinyl)137trimethyl1Hpurine26(3H7H)dione
442660448
8((2E)1(4methoxy3nitrobenzyl)2(naphthalen1ylmethylidene)hydrazinyl)137trimethyl37dihydro1Hpurine26dione
8((4methoxy3nitrophenyl)methyl((E)naphthalen1ylmethylideneamino)amino)137trimethylpurine26dione
CN1C2=C(N=C1N(CC3=CC(=C(C=C3)OC)(N+)(=O)(O))N=CC4=CC=CC5=CC=CC=C54)N(C(=O)N(C2=O)C)C
COc1ccc(cc1(N+)(=O)(O))CN(c1nc2c(n1C)c(=O)n(c(=O)n2C)C)N=Cc1cccc2c1cccc2
InChI=1SC27H25N7O5c1302324(31(2)27(36)32(3)25(23)35)2926(30)33(1617121322(394)21(1417)34(37)38)2815191079188561120(18)19h515H16H214H3b2815+
MFCD03133782
ZINC000008439783
ZINC102882255
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