Vitas-M small molecule compound
3-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-hydroxy-5-(thiomorpholin-4-ylmethyl)-4H-pyran-4-one
Catalog ID
STL521337
SMILES COc1cc2CN(CCc2cc1OC)Cc1c(O)occ(c1=O)CN1CCSCC1
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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 C22H28N2O5S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O5S/c1-27-19-9-15-3-4-24(11-16(15)10-20(19)28-2)13-18-21(25)17(14-29-22(18)26)12-23-5-7-30-8-6-23/h9-10,14,26H,3-8,11-13H2,1-2H3InChIKey
YJHHRDNIMJPOFO-UHFFFAOYSA-NSynonyms
3((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)2hydroxy5(thiomorpholin4ylmethyl)4Hpyran4one
3((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)2hydroxy5(thiomorpholinomethyl)4Hpyran4one
InChI=1SC22H28N2O5Sc127199153424(1116(15)1020(19)282)131821(25)17(142922(18)26)122357308623h9101426H381113H212H3
MFCD22574238
ZINC000100796224
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