Vitas-M small molecule compound
6-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-5-nitropyrimidine-2,4-diol
Catalog ID
STK607308
SMILES Oc1nc(/C=C/c2cn(c3c2cccc3)Cc2ccccc2)c(c(n1)O)[N+](=O)[O-]
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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 C21H16N4O4 MW 388.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O4/c26-20-19(25(28)29)17(22-21(27)23-20)11-10-15-13-24(12-14-6-2-1-3-7-14)18-9-5-4-8-16(15)18/h1-11,13H,12H2,(H2,22,23,26,27)/b11-10+InChIKey
WBTORKRITLRPEX-ZHACJKMWSA-NSynonyms
824943-98-86((E)2(1benzyl1Hindol3yl)ethenyl)5nitropyrimidine24diol
6((E)2(1BENZYLINDOL3YL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
824943988
C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=CC4=C(C(=O)NC(=O)N4)(N+)(=O)(O)
InChI=1SC21H16N4O4c262019(25(28)29)17(2221(27)2320)1110151324(12146213714)18954816(15)18h11113H12H2(H222232627)b1110+
MFCD08734750
Oc1nc(C=Cc2cn(c3c2cccc3)Cc2ccccc2)c(c(n1)O)(N+)(=O)(O)
ZINC000005064303
ZINC5064303
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