Vitas-M small molecule compound
1,3-dimethyl-7-(4-methylbenzyl)-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK555116
SMILES Cc1ccc(cc1)Cn1c(N/N=C/c2cccnc2)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 C21H21N7O2 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N7O2/c1-14-6-8-15(9-7-14)13-28-17-18(26(2)21(30)27(3)19(17)29)24-20(28)25-23-12-16-5-4-10-22-11-16/h4-12H,13H2,1-3H3,(H,24,25)/b23-12+InChIKey
VAQJYVHCQJBCHT-FSJBWODESA-NSynonyms
536718-60-2(E)13dimethyl7(4methylbenzyl)8(2(pyridin3ylmethylene)hydrazinyl)1Hpurine26(3H7H)dione
13dimethyl7((4methylphenyl)methyl)8((2E)2(pyridin3ylmethylidene)hydrazinyl)purine26dione
13dimethyl7(4methylbenzyl)8((2E)2(pyridin3ylmethylidene)hydrazinyl)37dihydro1Hpurine26dione
536718602
CC1=CC=C(C=C1)CN2C3=C(N=C2NN=CC4=CN=CC=C4)N(C(=O)N(C3=O)C)C
Cc1ccc(cc1)Cn1c(NN=Cc2cccnc2)nc2c1c(=O)n(c(=O)n2C)C
InChI=1SC21H21N7O2c1146815(9714)13281718(26(2)21(30)27(3)19(17)29)2420(28)252312165410221116h412H13H213H3(H2425)b2312+
MFCD03417449
ZINC000005054436
ZINC33422299
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