Vitas-M small molecule compound
(8E)-7-(4-bromobenzyl)-1,3-dimethyl-8-[(2E)-(pyridin-4-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STL054162
SMILES Brc1ccc(cc1)Cn1/c(=N/N=C/c2ccncc2)/[nH]c2c1c(=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 C20H18BrN7O2 MW 468.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN7O2/c1-26-17-16(18(29)27(2)20(26)30)28(12-14-3-5-15(21)6-4-14)19(24-17)25-23-11-13-7-9-22-10-8-13/h3-11H,12H2,1-2H3,(H,24,25)/b23-11+InChIKey
CWENBNGFYBKLFE-FOKLQQMPSA-NSynonyms
577765-07-2(8E)7(4bromobenzyl)13dimethyl8((2E)(pyridin4ylmethylidene)hydrazinylidene)3789tetrahydro1Hpurine26dione
577765072
7((4BROMOPHENYL)METHYL)13DIMETHYL8((2E)2(PYRIDIN4YLMETHYLIDENE)HYDRAZINYL)PURINE26DIONE
Brc1ccc(cc1)Cn1c(=NN=Cc2ccncc2)(nH)c2c1c(=O)n(c(=O)n2C)C
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=NC=C3)CC4=CC=C(C=C4)Br
InChI=1SC20H18BrN7O2c1261716(18(29)27(2)20(26)30)28(12143515(21)6414)19(2417)25231113792210813h311H12H212H3(H2425)b2311+
MFCD05735139
ZINC000009471287
ZINC33332440
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