Vitas-M small molecule compound
(3aS,4R,9bR)-8-bromo-4-[3-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
Catalog ID
STK523307
SMILES Brc1cc(C(=O)O)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1cccc(c1)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 C20H15BrF3NO2 MW 438.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrF3NO2/c21-12-8-15-13-5-2-6-14(13)17(25-18(15)16(9-12)19(26)27)10-3-1-4-11(7-10)20(22,23)24/h1-5,7-9,13-14,17,25H,6H2,(H,26,27)/t13-,14+,17+/m1/s1InChIKey
ITPSVLQAOTZWJK-KEYYUXOJSA-NSynonyms
(3aS4R9bR)8bromo4(3(trifluoromethyl)phenyl)3a459btetrahydro3Hcyclopenta(c)quinoline6carboxylicacid
Brc1cc(C(=O)O)c2c(c1)(C@@H)1C=CC(C@@H)1(C@@H)(N2)c1cccc(c1)C(F)(F)F
C1C=CC2C1C(NC3=C2C=C(C=C3C(=O)O)Br)C4=CC(=CC=C4)C(F)(F)F
InChI=1SC20H15BrF3NO2c21128151352614(13)17(2518(15)16(912)19(26)27)1031411(710)20(2223)24h157913141725H6H2(H2627)t1314+17+m1s1
MFCD18204653
ZINC000003636270
ZINC3636270
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