Vitas-M small molecule compound
(8E)-7-[(2E)-3-chlorobut-2-en-1-yl]-8-[(2E)-(4-fluorobenzylidene)hydrazinylidene]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STL055718
SMILES C/C(=C\Cn1/c(=N/N=C/c2ccc(cc2)F)/[nH]c2c1c(=O)n(c(=O)n2C)C)/Cl
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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 C18H18ClFN6O2 MW 404.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClFN6O2/c1-11(19)8-9-26-14-15(24(2)18(28)25(3)16(14)27)22-17(26)23-21-10-12-4-6-13(20)7-5-12/h4-8,10H,9H2,1-3H3,(H,22,23)/b11-8+,21-10+InChIKey
AWUOUWUWTYWTGM-WRNZLZEGSA-NSynonyms
713086-59-0(8E)7((2E)3chlorobut2en1yl)8((2E)(4fluorobenzylidene)hydrazinylidene)13dimethyl3789tetrahydro1Hpurine26dione
7((E)3chlorobut2enyl)8((2E)2((4fluorophenyl)methylidene)hydrazinyl)13dimethylpurine26dione
713086590
CC(=CCn1c(=NN=Cc2ccc(cc2)F)(nH)c2c1c(=O)n(c(=O)n2C)C)Cl
CC(=CCN1C2=C(N=C1NN=CC3=CC=C(C=C3)F)N(C(=O)N(C2=O)C)C)Cl
InChI=1SC18H18ClFN6O2c111(19)89261415(24(2)18(28)25(3)16(14)27)2217(26)232110124613(20)7512h4810H9H213H3(H2223)b118+2110+
MFCD05724643
ZINC000005156837
ZINC33559844
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