Vitas-M small molecule compound
[8-(4-bromophenyl)-1-methyl-2,4-dioxo-7-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]acetic acid
Catalog ID
STL350904
SMILES Brc1ccc(cc1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=O)O)c1ccccc1
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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 C22H16BrN5O4 MW 494.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN5O4/c1-25-19-18(20(31)27(22(25)32)12-17(29)30)26-11-16(13-5-3-2-4-6-13)28(21(26)24-19)15-9-7-14(23)8-10-15/h2-11H,12H2,1H3,(H,29,30)InChIKey
QJXLTTWOUGYTSZ-UHFFFAOYSA-NSynonyms
951936-80-4(8(4bromophenyl)1methyl24dioxo7phenyl1248tetrahydro3Himidazo(21f)purin3yl)aceticacid
2(6(4bromophenyl)4methyl13dioxo7phenylpurino(78a)imidazol2yl)aceticacid
2(8(4bromophenyl)1methyl24dioxo7phenyl1Himidazo(21f)purin3(2H4H8H)yl)aceticacid
951936804
CN1C2=C(C(=O)N(C1=O)CC(=O)O)N3C=C(N(C3=N2)C4=CC=C(C=C4)Br)C5=CC=CC=C5
InChI=1SC22H16BrN5O4c1251918(20(31)27(22(25)32)1217(29)30)261116(135324613)28(21(26)2419)159714(23)81015h211H12H21H3(H2930)
MFCD09852929
ZINC000013691845
ZINC13691845
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