Vitas-M small molecule compound
4-{(E)-[(2E)-(7-benzyl-1,3-dimethyl-2,6-dioxo-1,2,3,6,7,9-hexahydro-8H-purin-8-ylidene)hydrazinylidene]methyl}-2-methoxyphenyl furan-2-carboxylate
Catalog ID
STL051201
SMILES COc1cc(/C=N/N=c/2\[nH]c3c(n2Cc2ccccc2)c(=O)n(c(=O)n3C)C)ccc1OC(=O)c1ccco1
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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 C27H24N6O6 MW 528.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N6O6/c1-31-23-22(24(34)32(2)27(31)36)33(16-17-8-5-4-6-9-17)26(29-23)30-28-15-18-11-12-19(21(14-18)37-3)39-25(35)20-10-7-13-38-20/h4-15H,16H2,1-3H3,(H,29,30)/b28-15+InChIKey
WDJKUQQJJGUWDH-RWPZCVJISA-NSynonyms
714927-05-64((E)((2E)(7benzyl13dimethyl26dioxo123679hexahydro8Hpurin8ylidene)hydrazinylidene)methyl)2methoxyphenylfuran2carboxylate
714927056
COc1cc(C=NN=c2(nH)c3c(n2Cc2ccccc2)c(=O)n(c(=O)n3C)C)ccc1OC(=O)c1ccco1
MFCD05734252
ZINC000008683384
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