Vitas-M small molecule compound
2-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium-2-yl)-4-iodo-6-methylphenolate
Catalog ID
STL149617
SMILES C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1cc(I)cc(c1[O-])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 C17H18IN3O2S MW 455.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18IN3O2S/c1-8-5-9(18)6-11(14(8)22)15-19-16(23)13-10-3-4-21(2)7-12(10)24-17(13)20-15/h5-6,15,20,22H,3-4,7H2,1-2H3,(H,19,23)InChIKey
AQKJTOBKTAHSBA-UHFFFAOYSA-NSynonyms
497241-23-32(2hydroxy5iodo3methylphenyl)7methyl123568hexahydropyrido(23)thieno(24d)pyrimidin4one
2(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)4iodo6methylphenolate
497241233
C(NH+)1CCc2c(C1)sc1c2C(=NC(N1)c1cc(I)cc(c1(O))C)O
CC1=C(C(=CC(=C1)I)C2NC3=C(C4=C(S3)CN(CC4)C)C(=O)N2)O
InChI=1SC17H18IN3O2Sc1859(18)611(14(8)22)151916(23)13103421(2)712(10)2417(13)2015h56152022H347H212H3(H1923)
MFCD20755640
ZINC000008837736
ZINC000008837737
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