Vitas-M small molecule compound

5-benzyl-2-({2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}sulfanyl)-6-hydroxypyrimidin-4(3H)-one

Catalog ID
STL527619
SMILES COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)CSc1nc(O)c(c(=O)[nH]1)Cc1ccccc1

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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 C25H27N3O5S MW 481.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5S/c1-15-18-13-21(33-3)20(32-2)12-17(18)9-10-28(15)22(29)14-34-25-26-23(30)19(24(31)27-25)11-16-7-5-4-6-8-16/h4-8,12-13,15H,9-11,14H2,1-3H3,(H2,26,27,30,31)/t15-/m0/s1
InChIKey
RBJUUDFZNRIDMB-HNNXBMFYSA-N
Synonyms
1212346-95-6
(S)5benzyl2((2(67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)2oxoethyl)thio)6hydroxypyrimidin4(3H)one
1212346956
5benzyl2((2((1S)67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)2oxoethyl)sulfanyl)6hydroxypyrimidin4(3H)one
5benzyl2(2((1~(S))67dimethoxy1methyl34dihydro1~(H)isoquinolin2yl)2oxoethyl)sulfanyl4hydroxy1~(H)pyrimidin6one
5BENZYL2(2((1S)67DIMETHOXY1METHYL34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYL4HYDROXY1HPYRIMIDIN6ONE
6574731
COc1cc2c(cc1OC)CCN((C@H)2C)C(=O)CSc1nc(O)c(c(=O)(nH)1)Cc1ccccc1
InChI=1SC25H27N3O5Sc115181321(333)20(322)1217(18)91028(15)22(29)1434252623(30)19(24(31)2725)11167546816h48121315H91114H213H3(H226273031)t15m0s1
MFCD03660193
ZINC000009033524
ZINC9033524

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.