Vitas-M small molecule compound
2-({2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}sulfanyl)-6-hydroxy-3-(2-methylphenyl)pyrimidin-4(3H)-one
Catalog ID
STL527554
SMILES COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)CSc1nc(O)cc(=O)n1c1ccccc1C
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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/c1-15-7-5-6-8-19(15)28-23(30)13-22(29)26-25(28)34-14-24(31)27-10-9-17-11-20(32-3)21(33-4)12-18(17)16(27)2/h5-8,11-13,16,29H,9-10,14H2,1-4H3/t16-/m0/s1InChIKey
JVYXTOINDJVEKP-INIZCTEOSA-NSynonyms
1212323-42-6(S)2((2(67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)2oxoethyl)thio)6hydroxy3(otolyl)pyrimidin4(3H)one
1212323426
135639286
2((2((1S)67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)2oxoethyl)sulfanyl)6hydroxy3(2methylphenyl)pyrimidin4(3H)one
2(2((1~(S))67dimethoxy1methyl34dihydro1~(H)isoquinolin2yl)2oxoethyl)sulfanyl6hydroxy3(2methylphenyl)pyrimidin4one
2(2((1S)67DIMETHOXY1METHYL34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYL6HYDROXY1(2METHYLPHENYL)PYRIMIDIN4ONE
COc1cc2c(cc1OC)CCN((C@H)2C)C(=O)CSc1nc(O)cc(=O)n1c1ccccc1C
InChI=1SC25H27N3O5Sc115756819(15)2823(30)1322(29)2625(28)341424(31)27109171120(323)21(334)1218(17)16(27)2h5811131629H91014H214H3t16m0s1
MFCD03660287
ZINC000009033539
ZINC9033539
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.