Vitas-M small molecule compound
(8E)-7-(3-bromobenzyl)-8-{(2E)-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinylidene}-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STL150392
SMILES Br/C(=C\c1ccccc1)/C=N/N=c/1\[nH]c2c(n1Cc1cccc(c1)Br)c(=O)n(c(=O)n2C)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 C23H20Br2N6O2 MW 572.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20Br2N6O2/c1-29-20-19(21(32)30(2)23(29)33)31(14-16-9-6-10-17(24)12-16)22(27-20)28-26-13-18(25)11-15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,27,28)/b18-11-,26-13+InChIKey
JRIIKQZODICBAH-ATILKXIVSA-NSynonyms
(8E)7(3bromobenzyl)8((2E)((2Z)2bromo3phenylprop2en1ylidene)hydrazinylidene)13dimethyl3789tetrahydro1Hpurine26dione
7((3bromophenyl)methyl)8((2E)2((Z)2bromo3phenylprop2enylidene)hydrazinyl)13dimethylpurine26dione
BrC(=Cc1ccccc1)C=NN=c1(nH)c2c(n1Cc1cccc(c1)Br)c(=O)n(c(=O)n2C)C
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC(=CC3=CC=CC=C3)Br)CC4=CC(=CC=C4)Br
InChI=1SC23H20Br2N6O2c1292019(21(32)30(2)23(29)33)31(1416961017(24)1216)22(2720)28261318(25)11157435815h313H14H212H3(H2728)b18112613+
MFCD04079312
ZINC000053276013
ZINC103227837
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