Vitas-M small molecule compound

N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide

Catalog ID
STL342832
SMILES COc1cc(ccc1OC)C1N(CCC2(C1CCCC2)O)CC(=O)Nc1ccc(cc1)Cl

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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 C25H31ClN2O4 MW 458.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31ClN2O4/c1-31-21-11-6-17(15-22(21)32-2)24-20-5-3-4-12-25(20,30)13-14-28(24)16-23(29)27-19-9-7-18(26)8-10-19/h6-11,15,20,24,30H,3-5,12-14,16H2,1-2H3,(H,27,29)
InChIKey
FTTAMGFTVMVPRQ-UHFFFAOYSA-N
Synonyms
1022546-08-2
1022546082
COC1=C(C=C(C=C1)C2C3CCCCC3(CCN2CC(=O)NC4=CC=C(C=C4)Cl)O)OC
InChI=1SC25H31ClN2O4c1312111617(1522(21)322)24205341225(2030)131428(24)1623(29)27199718(26)81019h61115202430H35121416H212H3(H2729)
MFCD04159134
N(4chlorophenyl)2(1(34dimethoxyphenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)acetamide
N(4chlorophenyl)2(1(34dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetamide
ZINC000009215852
ZINC000013758852

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Available files

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