Vitas-M small molecule compound
1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-({[4-hydroxy-6-(propan-2-yl)thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)ethanone
Catalog ID
STL567368
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CSCc1nc(O)c2c(n1)sc(c2)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 C21H29N3O3S2 MW 435.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O3S2/c1-13(2)16-9-15-19(26)22-17(23-20(15)29-16)11-28-12-18(25)24-8-7-21(27)6-4-3-5-14(21)10-24/h9,13-14,27H,3-8,10-12H2,1-2H3,(H,22,23,26)InChIKey
HYGYETZFYMPEBZ-UHFFFAOYSA-NSynonyms
1(4ahydroxyoctahydroisoquinolin2(1H)yl)2(((4hydroxy6(propan2yl)thieno(23d)pyrimidin2yl)methyl)sulfanyl)ethanone
132285830
2((2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)sulfanylmethyl)6propan2yl3Hthieno(23d)pyrimidin4one
InChI=1SC21H29N3O3S2c113(2)1691519(26)2217(2320(15)2916)11281218(25)248721(27)643514(21)1024h9131427H381012H212H3(H222326)
MFCD32652599
ZINC000604418686
ZINC000886025309
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