Vitas-M small molecule compound
7-{2-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethoxy}-4-(trifluoromethyl)-2H-chromen-2-one
Catalog ID
STL004214
SMILES Clc1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1)oc(=O)cc2C(F)(F)F
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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 C27H25ClF3NO5 MW 535.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClF3NO5/c28-17-6-4-16(5-7-17)25-20-3-1-2-10-26(20,35)11-12-32(25)23(33)15-36-18-8-9-19-21(27(29,30)31)14-24(34)37-22(19)13-18/h4-9,13-14,20,25,35H,1-3,10-12,15H2InChIKey
CTHKWPKZOPUXDN-UHFFFAOYSA-NSynonyms
7(2((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)4(trifluoromethyl)2Hchromen2one
7(2(1(4chlorophenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)4(trifluoromethyl)chromen2one
7(2(1(4CHLOROPHENYL)4AHYDROXYOCTAHYDROISOQUINOLIN2(1H)YL)2OXOETHOXY)4(TRIFLUOROMETHYL)2HCHROMEN2ONE
C1CCC2(CCN(C(C2C1)C3=CC=C(C=C3)Cl)C(=O)COC4=CC5=C(C=C4)C(=CC(=O)O5)C(F)(F)F)O
Clc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1)oc(=O)cc2C(F)(F)F
InChI=1SC27H25ClF3NO5c28176416(5717)25203121026(2035)111232(25)23(33)153618891921(27(2930)31)1424(34)3722(19)1318h491314202535H13101215H2
MFCD18185369
ZINC000002122348
ZINC000257173111
Check stock
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Check stock on Vitas-MAvailable files
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