Vitas-M small molecule compound
2,4-dibromo-6-(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
STL047708
SMILES Brc1cc(Br)c(c(c1)C1N=C(O)c2c(N1)sc1c2CC[NH+](C1)C)[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 C16H15Br2N3O2S MW 473.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15Br2N3O2S/c1-21-3-2-8-11(6-21)24-16-12(8)15(23)19-14(20-16)9-4-7(17)5-10(18)13(9)22/h4-5,14,20,22H,2-3,6H2,1H3,(H,19,23)InChIKey
QQICFMVNAIKSAC-UHFFFAOYSA-NSynonyms
313958-20-224dibromo6(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)phenolate
24dibromo6(7methyl4oxo235678hexahydro1Hpyrido(23)thieno(24d)pyrimidin7ium2yl)phenolate
313958202
Brc1cc(Br)c(c(c1)C1N=C(O)c2c(N1)sc1c2CC(NH+)(C1)C)(O)
C(NH+)1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC(=C4(O))Br)Br
InChI=1SC16H15Br2N3O2Sc12132811(621)241612(8)15(23)1914(2016)947(17)510(18)13(9)22h45142022H236H21H3(H1923)
MFCD03663990
ZINC000002368145
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