Vitas-M small molecule compound

N-benzyl-2-[4a-hydroxy-1-(3,4,5-trimethoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetamide

Catalog ID
STK409782
SMILES COc1cc(cc(c1OC)OC)C1N(CCC2(C1CCCC2)O)CC(=O)NCc1ccccc1

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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 C27H36N2O5 MW 468.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O5/c1-32-22-15-20(16-23(33-2)26(22)34-3)25-21-11-7-8-12-27(21,31)13-14-29(25)18-24(30)28-17-19-9-5-4-6-10-19/h4-6,9-10,15-16,21,25,31H,7-8,11-14,17-18H2,1-3H3,(H,28,30)
InChIKey
SGGYYSCWAPCMGF-UHFFFAOYSA-N
Synonyms

2(4ahydroxy1(345trimethoxyphenyl)13456788aoctahydroisoquinolin2yl)Nbenzylacetamide
COC1=CC(=CC(=C1OC)OC)C2C3CCCCC3(CCN2CC(=O)NCC4=CC=CC=C4)O
COc1cc(cc(c1OC)OC)(C@@H)1N(CCC2(C1CCCC2)O)CC(=O)NCc1ccccc1
InChI=1SC27H36N2O5c132221520(1623(332)26(22)343)252111781227(2131)131429(25)1824(30)28171995461019h469101516212531H7811141718H213H3(H2830)
MFCD04146578
Nbenzyl2((1R)4ahydroxy1(345trimethoxyphenyl)octahydroisoquinolin2(1H)yl)acetamide
Nbenzyl2(4ahydroxy1(345trimethoxyphenyl)octahydroisoquinolin2(1H)yl)acetamide
ZINC000002107233
ZINC000035828023

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.