Vitas-M small molecule compound
4-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-6-chloro-9-(trifluoromethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL199510
SMILES COc1cc(cc(c1OCc1ccccc1)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 C27H22BrClF3NO2 MW 564.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrClF3NO2/c1-34-22-13-16(12-20(28)26(22)35-14-15-6-3-2-4-7-15)24-18-9-5-8-17(18)23-19(27(30,31)32)10-11-21(29)25(23)33-24/h2-8,10-13,17-18,24,33H,9,14H2,1H3InChIKey
FROGEXUMJSDMBO-UHFFFAOYSA-NSynonyms
4(3BROMO5METHOXY4PHENYLMETHOXYPHENYL)6CHLORO9(TRIFLUOROMETHYL)3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE
4(4(benzyloxy)3bromo5methoxyphenyl)6chloro9(trifluoromethyl)3a459btetrahydro3Hcyclopenta(c)quinoline
COC1=C(C(=CC(=C1)C2C3CC=CC3C4=C(C=CC(=C4N2)Cl)C(F)(F)F)Br)OCC5=CC=CC=C5
InChI=1SC27H22BrClF3NO2c134221316(1220(28)26(22)3514156324715)241895817(18)2319(27(3031)32)101121(29)25(23)3324h28101317182433H914H21H3
MFCD03865835
ZINC000008452886
ZINC000105163113
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