Vitas-M small molecule compound
methyl 2-({[1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK996963
SMILES COc1ccc(c(c1)C1N(CCC2(C1CCCC2)O)CC(=O)Nc1sc(c(c1C(=O)OC)C)C)OC
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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 C27H36N2O6S MW 516.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O6S/c1-16-17(2)36-25(23(16)26(31)35-5)28-22(30)15-29-13-12-27(32)11-7-6-8-20(27)24(29)19-14-18(33-3)9-10-21(19)34-4/h9-10,14,20,24,32H,6-8,11-13,15H2,1-5H3,(H,28,30)InChIKey
UELADTJVDCZMTL-UHFFFAOYSA-NSynonyms
1005072-50-31005072503
2(2(1(25DIMETHOXYPHENYL)4AHYDROXYOCTAHYDROISOQUINOLIN2YL)ACETYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLICACIDMETHYLESTER
CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCC3(CCCCC3C2C4=C(C=CC(=C4)OC)OC)O)C
InChI=1SC27H36N2O6Sc11617(2)3625(23(16)26(31)355)2822(30)1529131227(32)1176820(27)24(29)191418(333)91021(19)344h91014202432H68111315H215H3(H2830)
methyl2(((1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetyl)amino)45dimethylthiophene3carboxylate
methyl2((2(1(25dimethoxyphenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)acetyl)amino)45dimethylthiophene3carboxylate
methyl2(2(1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetamido)45dimethylthiophene3carboxylate
MFCD04196517
ZINC000008682520
ZINC000245242274
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.