Vitas-M small molecule compound
methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK409784
SMILES COc1ccc(cc1)C1N(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 C28H36N2O5S MW 512.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O5S/c1-34-19-12-10-18(11-13-19)25-21-8-5-6-14-28(21,33)15-16-30(25)17-23(31)29-26-24(27(32)35-2)20-7-3-4-9-22(20)36-26/h10-13,21,25,33H,3-9,14-17H2,1-2H3,(H,29,31)InChIKey
RHERRZJDVNWUSM-UHFFFAOYSA-NSynonyms
1022301-25-21022301252
COC1=CC=C(C=C1)C2C3CCCCC3(CCN2CC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)O
InChI=1SC28H36N2O5Sc13419121018(111319)25218561428(2133)151630(25)1723(31)292624(27(32)352)20734922(20)3626h1013212533H391417H212H3(H2931)
methyl2(((4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(4ahydroxy1(4methoxyphenyl)13456788aoctahydroisoquinolin2yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2(4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD04168538
ZINC000013769213
ZINC000245226340
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