Vitas-M small molecule compound
8-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK557885
SMILES Cc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)F)nc2c1c(=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 C22H21FN6O2 MW 420.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN6O2/c1-14-4-6-16(7-5-14)13-29-18-19(27(2)22(31)28(3)20(18)30)25-21(29)26-24-12-15-8-10-17(23)11-9-15/h4-12H,13H2,1-3H3,(H,25,26)/b24-12+InChIKey
CLYCROGLKXLIBG-WYMPLXKRSA-NSynonyms
536718-57-7(E)8(2(4fluorobenzylidene)hydrazinyl)13dimethyl7(4methylbenzyl)1Hpurine26(3H7H)dione
536718577
8((2E)2((4fluorophenyl)methylidene)hydrazinyl)13dimethyl7((4methylphenyl)methyl)purine26dione
8((2E)2(4fluorobenzylidene)hydrazinyl)13dimethyl7(4methylbenzyl)37dihydro1Hpurine26dione
CC1=CC=C(C=C1)CN2C3=C(N=C2NN=CC4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C
Cc1ccc(cc1)Cn1c(NN=Cc2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C
InChI=1SC22H21FN6O2c1144616(7514)13291819(27(2)22(31)28(3)20(18)30)2521(29)2624121581017(23)11915h412H13H213H3(H2526)b2412+
MFCD03417446
ZINC000005026989
ZINC33749333
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