Vitas-M small molecule compound
methyl 2-({[1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK409776
SMILES CCOc1ccccc1C1N(CCC2(C1CCCC2)O)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C29H38N2O5S MW 526.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O5S/c1-3-36-22-13-6-4-10-19(22)26-21-12-8-9-15-29(21,34)16-17-31(26)18-24(32)30-27-25(28(33)35-2)20-11-5-7-14-23(20)37-27/h4,6,10,13,21,26,34H,3,5,7-9,11-12,14-18H2,1-2H3,(H,30,32)InChIKey
HBAJJGLXFFHEFI-UHFFFAOYSA-NSynonyms
1024315-22-71024315227
CCOC1=CC=CC=C1C2C3CCCCC3(CCN2CC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)O
InChI=1SC29H38N2O5Sc13362213641019(22)262112891529(2134)161731(26)1824(32)302725(28(33)352)2011571423(20)3727h461013212634H357911121418H212H3(H3032)
methyl2(((1(2ethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(1(2ethoxyphenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2(1(2ethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD04190625
ZINC000002213956
ZINC000013815401
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