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-iodophenolate
Catalog ID
STK558987
SMILES C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1cc(I)ccc1[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 C16H16IN3O2S MW 441.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16IN3O2S/c1-20-5-4-9-12(7-20)23-16-13(9)15(22)18-14(19-16)10-6-8(17)2-3-11(10)21/h2-3,6,14,19,21H,4-5,7H2,1H3,(H,18,22)InChIKey
MMGBCZKOKDLEAA-UHFFFAOYSA-NSynonyms
489398-28-92(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)4iodophenolate
489398289
4iodo2(7methyl4oxo235678hexahydro1Hpyrido(23)thieno(24d)pyrimidin7ium2yl)phenolate
C(NH+)1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=C(C=CC(=C4)I)(O)
C(NH+)1CCc2c(C1)sc1c2C(=NC(N1)c1cc(I)ccc1(O))O
InChI=1SC16H16IN3O2Sc12054912(720)231613(9)15(22)1814(1916)1068(17)2311(10)21h236141921H457H21H3(H1822)
MFCD18243162
ZINC000002234274
ZINC000002234276
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