Vitas-M small molecule compound
methyl 3-{6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-[4-(methylsulfanyl)phenyl]propanoate
Catalog ID
STL549047
SMILES COC(=O)CC(c1oc(CN2CCc3c(C2)cc(c(c3)OC)OC)cc(=O)c1O)c1ccc(cc1)SC
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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 C28H31NO7S MW 525.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO7S/c1-33-24-11-18-9-10-29(15-19(18)12-25(24)34-2)16-20-13-23(30)27(32)28(36-20)22(14-26(31)35-3)17-5-7-21(37-4)8-6-17/h5-8,11-13,22,32H,9-10,14-16H2,1-4H3InChIKey
RLQSYLVCGGDGAV-UHFFFAOYSA-NSynonyms
121541627
InChI=1SC28H31NO7Sc13324111891029(1519(18)1225(24)342)16201323(30)27(32)28(3620)22(1426(31)353)175721(374)8617h5811132232H9101416H214H3
methyl3(6((67dimethoxy34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)3(4methylsulfanylphenyl)propanoate
methyl3(6((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(4(methylsulfanyl)phenyl)propanoate
METHYL3(6((67DIMETHOXY34DIHYDROISOQUINOLIN2(1H)YL)METHYL)3HYDROXY4OXO4HPYRAN2YL)3(4(METHYLTHIO)PHENYL)PROPANOATE
MFCD30344292
ZINC000263586227
ZINC000263586228
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