Vitas-M small molecule compound
4-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-methoxyphenyl}-8-(trifluoromethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL222872
SMILES COc1cc(cc(c1OCc1ccc(cc1Cl)Cl)Br)C1Nc2ccc(cc2C2C1CC=C2)C(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 C27H21BrCl2F3NO2 MW 599.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrCl2F3NO2/c1-35-24-10-15(9-21(28)26(24)36-13-14-5-7-17(29)12-22(14)30)25-19-4-2-3-18(19)20-11-16(27(31,32)33)6-8-23(20)34-25/h2-3,5-12,18-19,25,34H,4,13H2,1H3InChIKey
YWNOVVNONBTGKQ-UHFFFAOYSA-NSynonyms
4(3bromo4((24dichlorobenzyl)oxy)5methoxyphenyl)8(trifluoromethyl)3a459btetrahydro3Hcyclopenta(c)quinoline
4(3BROMO4((24DICHLOROPHENYL)METHOXY)5METHOXYPHENYL)8(TRIFLUOROMETHYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE
COC1=C(C(=CC(=C1)C2C3CC=CC3C4=C(N2)C=CC(=C4)C(F)(F)F)Br)OCC5=C(C=C(C=C5)Cl)Cl
InChI=1SC27H21BrCl2F3NO2c135241015(921(28)26(24)3613145717(29)1222(14)30)251942318(19)201116(27(3132)33)6823(20)3425h2351218192534H413H21H3
MFCD04091445
ZINC000008450563
ZINC000229975426
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