Vitas-M small molecule compound

(8E)-1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-[(2E)-(pyridin-2-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione

Catalog ID
STL054408
SMILES Clc1ccc(cc1Cl)Cn1c(=O)n(C)c2c(c1=O)n(C)/c(=N/N=C/c1ccccn1)/[nH]2

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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 C20H17Cl2N7O2 MW 458.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2N7O2/c1-27-16-17(25-19(27)26-24-10-13-5-3-4-8-23-13)28(2)20(31)29(18(16)30)11-12-6-7-14(21)15(22)9-12/h3-10H,11H2,1-2H3,(H,25,26)/b24-10+
InChIKey
KXSYRBQCXHMLPH-YSURURNPSA-N
Synonyms
714936-03-5
(8E)1(34dichlorobenzyl)37dimethyl8((2E)(pyridin2ylmethylidene)hydrazinylidene)3789tetrahydro1Hpurine26dione
1((34DICHLOROPHENYL)METHYL)37DIMETHYL8((2E)2(PYRIDIN2YLMETHYLIDENE)HYDRAZINYL)PURINE26DIONE
714936035
Clc1ccc(cc1Cl)Cn1c(=O)n(C)c2c(c1=O)n(C)c(=NN=Cc1ccccn1)(nH)2
CN1C2=C(N=C1NN=CC3=CC=CC=N3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C
InChI=1SC20H17Cl2N7O2c1271617(2519(27)2624101353482313)28(2)20(31)29(18(16)30)11126714(21)15(22)912h310H11H212H3(H2526)b2410+
MFCD05735436
ZINC000009459005
ZINC33332459

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Available files

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