Vitas-M small molecule compound
N-benzyl-2-[1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide
Catalog ID
STK723203
SMILES CCOc1cc(ccc1O)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 C26H34N2O4 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O4/c1-2-32-23-16-20(11-12-22(23)29)25-21-10-6-7-13-26(21,31)14-15-28(25)18-24(30)27-17-19-8-4-3-5-9-19/h3-5,8-9,11-12,16,21,25,29,31H,2,6-7,10,13-15,17-18H2,1H3,(H,27,30)InChIKey
NKBFIPOZZNNWSJ-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3CCCCC3(CCN2CC(=O)NCC4=CC=CC=C4)O)O
CCOc1cc(ccc1O)(C@@H)1N(CC(C@@)2((C@H)1CCCC2)O)CC(=O)NCc1ccccc1
InChI=1SC26H34N2O4c1232231620(111222(23)29)252110671326(2131)141528(25)1824(30)2717198435919h358911121621252931H2671013151718H21H3(H2730)
MFCD04145375
Nbenzyl2((1R4aS8aS)1(3ethoxy4hydroxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetamide
Nbenzyl2(1(3ethoxy4hydroxyphenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)acetamide
Nbenzyl2(1(3ethoxy4hydroxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetamide
ZINC000002331059
ZINC000035851990
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