Vitas-M small molecule compound
2-{[5-(butan-2-yl)-4,6-dihydroxypyrimidin-2-yl]sulfanyl}-1-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]ethanone
Catalog ID
STL527206
SMILES CCC(c1c(O)nc(nc1O)SCC(=O)N1CCc2c([C@@H]1C)cc(c(c2)OC)OC)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 C22H29N3O5S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O5S/c1-6-12(2)19-20(27)23-22(24-21(19)28)31-11-18(26)25-8-7-14-9-16(29-4)17(30-5)10-15(14)13(25)3/h9-10,12-13H,6-8,11H2,1-5H3,(H2,23,24,27,28)/t12?,13-/m0/s1InChIKey
YHQYYWHYCOQUHQ-ABLWVSNPSA-NSynonyms
1212435-48-71212435487
16400016
2((5(butan2yl)46dihydroxypyrimidin2yl)sulfanyl)1((1S)67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)ethanone
5butan2yl2(2((1~(S))67dimethoxy1methyl34dihydro1~(H)isoquinolin2yl)2oxoethyl)sulfanyl4hydroxy1~(H)pyrimidin6one
InChI=1SC22H29N3O5Sc1612(2)1920(27)2322(2421(19)28)311118(26)258714916(294)17(305)1015(14)13(25)3h9101213H6811H215H3(H223242728)t12?13m0s1
MFCD03266478
ZINC000008918022
ZINC000012863024
Check stock
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