Vitas-M small molecule compound
(8E)-1-(4-bromobenzyl)-3,7-dimethyl-8-[(2E)-(pyridin-3-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STL053366
SMILES Brc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)/c(=N/N=C/c1cccnc1)/[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 C20H18BrN7O2 MW 468.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN7O2/c1-26-16-17(24-19(26)25-23-11-14-4-3-9-22-10-14)27(2)20(30)28(18(16)29)12-13-5-7-15(21)8-6-13/h3-11H,12H2,1-2H3,(H,24,25)/b23-11+InChIKey
FOCLPRNCOWSCNF-FOKLQQMPSA-NSynonyms
714254-91-8(8E)1(4bromobenzyl)37dimethyl8((2E)(pyridin3ylmethylidene)hydrazinylidene)3789tetrahydro1Hpurine26dione
1((4BROMOPHENYL)METHYL)37DIMETHYL8((2E)2(PYRIDIN3YLMETHYLIDENE)HYDRAZINYL)PURINE26DIONE
714254918
Brc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(=NN=Cc1cccnc1)(nH)2
CN1C2=C(N=C1NN=CC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C
InChI=1SC20H18BrN7O2c1261617(2419(26)25231114439221014)27(2)20(30)28(18(16)29)12135715(21)8613h311H12H212H3(H2425)b2311+
MFCD05731899
ZINC000009463673
ZINC33331339
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