Vitas-M small molecule compound
8-[(2E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK837736
SMILES COCCn1c(N/N=C/c2cc(Br)ccc2OC)nc2c1c(=O)[nH]c(=O)n2C
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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 C17H19BrN6O4 MW 451.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrN6O4/c1-23-14-13(15(25)21-17(23)26)24(6-7-27-2)16(20-14)22-19-9-10-8-11(18)4-5-12(10)28-3/h4-5,8-9H,6-7H2,1-3H3,(H,20,22)(H,21,25,26)/b19-9+InChIKey
IWGUWYNDPOSMSB-DJKKODMXSA-NSynonyms
(E)8(2(5bromo2methoxybenzylidene)hydrazinyl)7(2methoxyethyl)3methyl1Hpurine26(3H7H)dione
8((2E)2((5bromo2methoxyphenyl)methylidene)hydrazinyl)7(2methoxyethyl)3methylpurine26dione
8((2E)2(5bromo2methoxybenzylidene)hydrazinyl)7(2methoxyethyl)3methyl37dihydro1Hpurine26dione
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=C(C=CC(=C3)Br)OC)CCOC
COCCn1c(NN=Cc2cc(Br)ccc2OC)nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC17H19BrN6O4c1231413(15(25)2117(23)26)24(67272)16(2014)2219910811(18)4512(10)283h4589H67H213H3(H2022)(H212526)b199+
MFCD02984648
ZINC000009014555
ZINC34889215
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