Vitas-M small molecule compound
(8E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2E)-(3-methylcyclohexylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STL055902
SMILES CC1CCC/C(=N\N=c\2/[nH]c3c(n2Cc2ccc(cc2)Cl)c(=O)n(c(=O)n3C)C)/C1
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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 C21H25ClN6O2 MW 428.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN6O2/c1-13-5-4-6-16(11-13)24-25-20-23-18-17(19(29)27(3)21(30)26(18)2)28(20)12-14-7-9-15(22)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,23,25)/b24-16+InChIKey
CPYCHTZJEKCIFY-LFVJCYFKSA-NSynonyms
713095-41-1(8E)7(4chlorobenzyl)13dimethyl8((2E)(3methylcyclohexylidene)hydrazinylidene)3789tetrahydro1Hpurine26dione
713095411
CC1CCCC(=NN=c2(nH)c3c(n2Cc2ccc(cc2)Cl)c(=O)n(c(=O)n3C)C)C1
MFCD05725926
ZINC000009287224
ZINC000009459308
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