Vitas-M small molecule compound
(8E)-3,7-dimethyl-1-(4-methylbenzyl)-8-[(2E)-(pyridin-2-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STL041598
SMILES Cc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)/c(=N/N=C/c1ccccn1)/[nH]2
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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/c1-14-7-9-15(10-8-14)13-28-19(29)17-18(27(3)21(28)30)24-20(26(17)2)25-23-12-16-6-4-5-11-22-16/h4-12H,13H2,1-3H3,(H,24,25)/b23-12+InChIKey
ZXEDOGBSULNOQG-FSJBWODESA-NSynonyms
573949-99-2(8E)37dimethyl1(4methylbenzyl)8((2E)(pyridin2ylmethylidene)hydrazinylidene)3789tetrahydro1Hpurine26dione
37DIMETHYL1((4METHYLPHENYL)METHYL)8((2E)2(PYRIDIN2YLMETHYLIDENE)HYDRAZINYL)PURINE26DIONE
573949992
CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)NN=CC4=CC=CC=N4)N(C2=O)C
Cc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(=NN=Cc1ccccn1)(nH)2
InChI=1SC21H21N7O2c1147915(10814)132819(29)1718(27(3)21(28)30)2420(26(17)2)25231216645112216h412H13H213H3(H2425)b2312+
MFCD05735536
ZINC000005026663
ZINC33332463
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