Vitas-M small molecule compound
2-({2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}sulfanyl)-6-hydroxy-5-(propan-2-yl)pyrimidin-4(3H)-one
Catalog ID
STL527453
SMILES COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)CSc1nc(O)c(c(=O)[nH]1)C(C)C
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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 C21H27N3O5S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5S/c1-11(2)18-19(26)22-21(23-20(18)27)30-10-17(25)24-7-6-13-8-15(28-4)16(29-5)9-14(13)12(24)3/h8-9,11-12H,6-7,10H2,1-5H3,(H2,22,23,26,27)/t12-/m0/s1InChIKey
LHSZFVYRERBVND-LBPRGKRZSA-NSynonyms
1212114-71-0(S)2((2(67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)2oxoethyl)thio)6hydroxy5isopropylpyrimidin4(3H)one
1212114710
2((2((1S)67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)2oxoethyl)sulfanyl)6hydroxy5(propan2yl)pyrimidin4(3H)one
2(2((1~(S))67dimethoxy1methyl34dihydro1~(H)isoquinolin2yl)2oxoethyl)sulfanyl4hydroxy5propan2yl1~(H)pyrimidin6one
2(2((1S)67DIMETHOXY1METHYL34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYL4HYDROXY5PROPAN2YL1HPYRIMIDIN6ONE
6574716
COc1cc2c(cc1OC)CCN((C@H)2C)C(=O)CSc1nc(O)c(c(=O)(nH)1)C(C)C
InChI=1SC21H27N3O5Sc111(2)1819(26)2221(2320(18)27)301017(25)247613815(284)16(295)914(13)12(24)3h891112H6710H215H3(H222232627)t12m0s1
MFCD03660150
ZINC000009033513
ZINC9033513
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.