Vitas-M small molecule compound
3-(4-bromophenyl)-8-hydroxy-9-(2-methoxyethyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purin-6-one
Catalog ID
STL158137
SMILES COCCn1c2nnc(n2c2c1c(O)nc(=O)n2C)c1ccc(cc1)Br
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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 C16H15BrN6O3 MW 419.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN6O3/c1-21-14-11(13(24)18-16(21)25)22(7-8-26-2)15-20-19-12(23(14)15)9-3-5-10(17)6-4-9/h3-6H,7-8H2,1-2H3,(H,18,24,25)InChIKey
XJWKBSADFYNDBD-UHFFFAOYSA-NSynonyms
921553-34-63(4bromophenyl)8hydroxy9(2methoxyethyl)5methyl59dihydro6H(124)triazolo(43e)purin6one
3(4BROMOPHENYL)9(2METHOXYETHYL)5METHYL5H(124)TRIAZOLO(43E)PURINE68(7H9H)DIONE
8(4bromophenyl)5(2methoxyethyl)1methylpurino(89c)(124)triazole24dione
921553346
CN1C2=C(C(=O)NC1=O)N(C3=NN=C(N23)C4=CC=C(C=C4)Br)CCOC
InChI=1SC16H15BrN6O3c1211411(13(24)1816(21)25)22(78262)15201912(23(14)15)93510(17)649h36H78H212H3(H182425)
MFCD20758241
ZINC000010967578
ZINC10967578
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