Vitas-M small molecule compound
(8E)-7-(3,4-dichlorobenzyl)-8-[(2E)-(2,4-dimethoxybenzylidene)hydrazinylidene]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STK570153
SMILES COc1ccc(c(c1)OC)/C=N/N=c/1\[nH]c2c(n1Cc1ccc(c(c1)Cl)Cl)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 C23H22Cl2N6O4 MW 517.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22Cl2N6O4/c1-29-20-19(21(32)30(2)23(29)33)31(12-13-5-8-16(24)17(25)9-13)22(27-20)28-26-11-14-6-7-15(34-3)10-18(14)35-4/h5-11H,12H2,1-4H3,(H,27,28)/b26-11+InChIKey
XWWIKXFMVQZLGD-KBKYJPHKSA-NSynonyms
577698-67-0(8E)7(34dichlorobenzyl)8((2E)(24dimethoxybenzylidene)hydrazinylidene)13dimethyl3789tetrahydro1Hpurine26dione
577698670
7((34DICHLOROPHENYL)METHYL)8((2E)2((24DIMETHOXYPHENYL)METHYLIDENE)HYDRAZINYL)13DIMETHYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=C(C=C(C=C3)OC)OC)CC4=CC(=C(C=C4)Cl)Cl
COc1ccc(c(c1)OC)C=NN=c1(nH)c2c(n1Cc1ccc(c(c1)Cl)Cl)c(=O)n(c(=O)n2C)C
InChI=1SC23H22Cl2N6O4c1292019(21(32)30(2)23(29)33)31(12135816(24)17(25)913)22(2720)282611146715(343)1018(14)354h511H12H214H3(H2728)b2611+
MFCD05728416
ZINC000009425105
ZINC33329941
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