Vitas-M small molecule compound
4-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-methoxyphenyl}-6-chloro-9-(trifluoromethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL199511
SMILES COc1cc(cc(c1OCc1ccc(cc1Cl)Cl)Br)C1Nc2c(Cl)ccc(c2C2C1CC=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 C27H20BrCl3F3NO2 MW 633.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20BrCl3F3NO2/c1-36-22-10-14(9-19(28)26(22)37-12-13-5-6-15(29)11-21(13)31)24-17-4-2-3-16(17)23-18(27(32,33)34)7-8-20(30)25(23)35-24/h2-3,5-11,16-17,24,35H,4,12H2,1H3InChIKey
SMAXAURWBOZBCH-UHFFFAOYSA-NSynonyms
4(3bromo4((24dichlorobenzyl)oxy)5methoxyphenyl)6chloro9(trifluoromethyl)3a459btetrahydro3Hcyclopenta(c)quinoline
4(3BROMO4((24DICHLOROPHENYL)METHOXY)5METHOXYPHENYL)6CHLORO9(TRIFLUOROMETHYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE
COC1=C(C(=CC(=C1)C2C3CC=CC3C4=C(C=CC(=C4N2)Cl)C(F)(F)F)Br)OCC5=C(C=C(C=C5)Cl)Cl
InChI=1SC27H20BrCl3F3NO2c136221014(919(28)26(22)3712135615(29)1121(13)31)241742316(17)2318(27(3233)34)7820(30)25(23)3524h2351116172435H412H21H3
MFCD03865832
ZINC000008452872
ZINC000163483277
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