Vitas-M small molecule compound
(8E)-7-(3-chlorobenzyl)-1,3-dimethyl-8-[(2E)-(3,4,5-trimethoxybenzylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STL052144
SMILES COc1cc(/C=N/N=c/2\[nH]c3c(n2Cc2cccc(c2)Cl)c(=O)n(c(=O)n3C)C)cc(c1OC)OC
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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 C24H25ClN6O5 MW 512.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN6O5/c1-29-21-19(22(32)30(2)24(29)33)31(13-14-7-6-8-16(25)9-14)23(27-21)28-26-12-15-10-17(34-3)20(36-5)18(11-15)35-4/h6-12H,13H2,1-5H3,(H,27,28)/b26-12+InChIKey
BCKQHVXUSNIMIK-RPPGKUMJSA-NSynonyms
714943-64-3(8E)7(3chlorobenzyl)13dimethyl8((2E)(345trimethoxybenzylidene)hydrazinylidene)3789tetrahydro1Hpurine26dione
7((3CHLOROPHENYL)METHYL)13DIMETHYL8((2E)2((345TRIMETHOXYPHENYL)METHYLIDENE)HYDRAZINYL)PURINE26DIONE
714943643
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC(=C(C(=C3)OC)OC)OC)CC4=CC(=CC=C4)Cl
COc1cc(C=NN=c2(nH)c3c(n2Cc2cccc(c2)Cl)c(=O)n(c(=O)n3C)C)cc(c1OC)OC
InChI=1SC24H25ClN6O5c1292119(22(32)30(2)24(29)33)31(131476816(25)914)23(2721)282612151017(343)20(365)18(1115)354h612H13H215H3(H2728)b2612+
MFCD05736944
ZINC000009470847
ZINC33332531
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