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-methylphenolate
Catalog ID
STK560384
SMILES C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1cc(C)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 C17H19N3O2S MW 329.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O2S/c1-9-3-4-12(21)11(7-9)15-18-16(22)14-10-5-6-20(2)8-13(10)23-17(14)19-15/h3-4,7,15,19,21H,5-6,8H2,1-2H3,(H,18,22)InChIKey
OKLWAQPBPBEIIL-UHFFFAOYSA-NSynonyms
439128-02-62(2hydroxy5methylphenyl)7methyl123568hexahydropyrido(23)thieno(24d)pyrimidin4one
2(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)4methylphenolate
439128026
C(NH+)1CCc2c(C1)sc1c2C(=NC(N1)c1cc(C)ccc1(O))O
CC1=CC(=C(C=C1)O)C2NC3=C(C4=C(S3)CN(CC4)C)C(=O)N2
InChI=1SC17H19N3O2Sc193412(21)11(79)151816(22)14105620(2)813(10)2317(14)1915h347151921H568H212H3(H1822)
MFCD18243518
ZINC000009008375
ZINC000009008376
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