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)-5-methylphenolate
Catalog ID
STK561865
SMILES C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1[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 C17H19N3O2S MW 329.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O2S/c1-9-3-4-10(12(21)7-9)15-18-16(22)14-11-5-6-20(2)8-13(11)23-17(14)19-15/h3-4,7,15,19,21H,5-6,8H2,1-2H3,(H,18,22)InChIKey
IKMHRJJFTHORTP-UHFFFAOYSA-NSynonyms
403643-85-62(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)5methylphenolate
403643856
C(NH+)1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1(O))C)O
MFCD03307121
ZINC000005962321
ZINC000005962323
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