Vitas-M small molecule compound
2,6-dibromo-3-hydroxy-4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium-2-yl)phenolate
Catalog ID
STL040243
SMILES C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1cc(Br)c(c(c1O)Br)[O-])O
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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 C16H15Br2N3O3S MW 489.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15Br2N3O3S/c1-21-3-2-6-9(5-21)25-16-10(6)15(24)19-14(20-16)7-4-8(17)13(23)11(18)12(7)22/h4,14,20,22-23H,2-3,5H2,1H3,(H,19,24)InChIKey
ABRACPIJFGUVEO-UHFFFAOYSA-NSynonyms
489442-91-324dibromo3hydroxy6(7methyl4oxo235678hexahydro1Hpyrido(23)thieno(24d)pyrimidin7ium2yl)phenolate
26dibromo3hydroxy4(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)phenolate
489442913
C(NH+)1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C(=C4(O))Br)O)Br
C(NH+)1CCc2c(C1)sc1c2C(=NC(N1)c1cc(Br)c(c(c1O)Br)(O))O
InChI=1SC16H15Br2N3O3Sc1213269(521)251610(6)15(24)1914(2016)748(17)13(23)11(18)12(7)22h414202223H235H21H3(H1924)
MFCD18247988
ZINC000001293805
ZINC000020083375
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