Vitas-M small molecule compound
(8E)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-8-[(2E)-(pyridin-4-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STL053379
SMILES Clc1ccc(c(c1)Cl)Cn1/c(=N/N=C/c2ccncc2)/[nH]c2c1c(=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 C20H17Cl2N7O2 MW 458.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2N7O2/c1-27-17-16(18(30)28(2)20(27)31)29(11-13-3-4-14(21)9-15(13)22)19(25-17)26-24-10-12-5-7-23-8-6-12/h3-10H,11H2,1-2H3,(H,25,26)/b24-10+InChIKey
JRKJLYHUOHZEGK-YSURURNPSA-NSynonyms
578761-22-5(8E)7(24dichlorobenzyl)13dimethyl8((2E)(pyridin4ylmethylidene)hydrazinylidene)3789tetrahydro1Hpurine26dione
578761225
7((24DICHLOROPHENYL)METHYL)13DIMETHYL8((2E)2(PYRIDIN4YLMETHYLIDENE)HYDRAZINYL)PURINE26DIONE
Clc1ccc(c(c1)Cl)Cn1c(=NN=Cc2ccncc2)(nH)c2c1c(=O)n(c(=O)n2C)C
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=NC=C3)CC4=C(C=C(C=C4)Cl)Cl
InChI=1SC20H17Cl2N7O2c1271716(18(30)28(2)20(27)31)29(11133414(21)915(13)22)19(2517)2624101257238612h310H11H212H3(H2526)b2410+
MFCD05729637
ZINC000009425053
ZINC33330599
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