Vitas-M small molecule compound
N-(4-chlorophenyl)-2-[1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide
Catalog ID
STL231840
SMILES COc1ccc(cc1C1N(CCC2(C1CCCC2)O)CC(=O)Nc1ccc(cc1)Cl)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 C25H31ClN2O4 MW 458.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31ClN2O4/c1-31-19-10-11-22(32-2)20(15-19)24-21-5-3-4-12-25(21,30)13-14-28(24)16-23(29)27-18-8-6-17(26)7-9-18/h6-11,15,21,24,30H,3-5,12-14,16H2,1-2H3,(H,27,29)InChIKey
OMZCJLFMQVLRGE-UHFFFAOYSA-NSynonyms
1009781-54-71009781547
COC1=CC(=C(C=C1)OC)C2C3CCCCC3(CCN2CC(=O)NC4=CC=C(C=C4)Cl)O
InChI=1SC25H31ClN2O4c13119101122(322)20(1519)24215341225(2130)131428(24)1623(29)27188617(26)7918h61115212430H35121416H212H3(H2729)
MFCD04165987
N(4chlorophenyl)2(1(25dimethoxyphenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)acetamide
N(4chlorophenyl)2(1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetamide
ZINC000002412807
ZINC000013768748
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