Vitas-M small molecule compound
N-(2,4-dichlorophenyl)-2-[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide
Catalog ID
STK577024
SMILES COc1ccc(cc1[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)CC(=O)Nc1ccc(cc1Cl)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 C25H30Cl2N2O4 MW 493.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30Cl2N2O4/c1-32-17-7-9-22(33-2)18(14-17)24-19-5-3-4-10-25(19,31)11-12-29(24)15-23(30)28-21-8-6-16(26)13-20(21)27/h6-9,13-14,19,24,31H,3-5,10-12,15H2,1-2H3,(H,28,30)/t19-,24-,25-/m0/s1InChIKey
SSEZSPJVVSTERA-LQGLAIQGSA-NSynonyms
1013886-48-01013886480
2((1R4aS8aS)1(25dimethoxyphenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)N(24dichlorophenyl)acetamide
COC1=CC(=C(C=C1)OC)C2C3CCCCC3(CCN2CC(=O)NC4=C(C=C(C=C4)Cl)Cl)O
COc1ccc(cc1(C@@H)1N(CC(C@@)2((C@H)1CCCC2)O)CC(=O)Nc1ccc(cc1Cl)Cl)OC
InChI=1SC25H30Cl2N2O4c132177922(332)18(1417)24195341025(1931)111229(24)1523(30)28218616(26)1320(21)27h691314192431H35101215H212H3(H2830)t192425m0s1
MFCD18245567
N(24dichlorophenyl)2((1R4aS8aS)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)acetamide
ZINC000009266248
ZINC9266248
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