Vitas-M small molecule compound

2-[1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-(2,4-dimethylphenyl)acetamide

Catalog ID
STL231841
SMILES COc1ccc(cc1C1N(CCC2(C1CCCC2)O)CC(=O)Nc1ccc(cc1C)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 C27H36N2O4 MW 452.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O4/c1-18-8-10-23(19(2)15-18)28-25(30)17-29-14-13-27(31)12-6-5-7-22(27)26(29)21-16-20(32-3)9-11-24(21)33-4/h8-11,15-16,22,26,31H,5-7,12-14,17H2,1-4H3,(H,28,30)
InChIKey
OTSSZYWKUPHQGU-UHFFFAOYSA-N
Synonyms
1022750-51-1
1022750511
2(1(25dimethoxyphenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)N(24dimethylphenyl)acetamide
2(1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)N(24dimethylphenyl)acetamide
CC1=CC(=C(C=C1)NC(=O)CN2CCC3(CCCCC3C2C4=C(C=CC(=C4)OC)OC)O)C
InChI=1SC27H36N2O4c11881023(19(2)1518)2825(30)1729141327(31)1265722(27)26(29)211620(323)91124(21)334h8111516222631H57121417H214H3(H2830)
MFCD04155336
ZINC000002400616
ZINC000247876387

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Available files

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