Vitas-M small molecule compound
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolinium-1-yl)-4-hydroxy-1-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL052743
SMILES COc1cccc(c1)n1c([S-])nc(c(c1=O)C1[NH2+]CCc2c1cc(OC)c(c2)OC)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 C22H23N3O5S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5S/c1-28-14-6-4-5-13(10-14)25-21(27)18(20(26)24-22(25)31)19-15-11-17(30-3)16(29-2)9-12(15)7-8-23-19/h4-6,9-11,19,23,26H,7-8H2,1-3H3,(H,24,31)InChIKey
QXOOLLDZRIVZJF-UHFFFAOYSA-NSynonyms
5(67dimethoxy1234tetrahydroisoquinolinium1yl)4hydroxy1(3methoxyphenyl)6oxo16dihydropyrimidine2thiolate
COc1cccc(c1)n1c((S))nc(c(c1=O)C1(NH2+)CCc2c1cc(OC)c(c2)OC)O
MFCD18249487
ZINC000001252845
ZINC000009359553
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