Vitas-M small molecule compound
(3aS,4R,9bR)-4-{4-[(4-chlorobenzyl)oxy]phenyl}-6-(trifluoromethyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL280636
SMILES Clc1ccc(cc1)COc1ccc(cc1)[C@@H]1Nc2c([C@H]3[C@@H]1CC=C3)cccc2C(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 C26H21ClF3NO MW 455.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClF3NO/c27-18-11-7-16(8-12-18)15-32-19-13-9-17(10-14-19)24-21-4-1-3-20(21)22-5-2-6-23(25(22)31-24)26(28,29)30/h1-3,5-14,20-21,24,31H,4,15H2/t20-,21+,24+/m1/s1InChIKey
GSDCUCIAFVJDAG-DPLHUUCSSA-NSynonyms
(3aS4R9bR)4(4((4chlorobenzyl)oxy)phenyl)6(trifluoromethyl)3a459btetrahydro3Hcyclopenta(c)quinoline
(3aS4R9bR)4(4((4chlorophenyl)methoxy)phenyl)6(trifluoromethyl)3a459btetrahydro3Hcyclopenta(c)quinoline
C1C=CC2C1C(NC3=C2C=CC=C3C(F)(F)F)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
Clc1ccc(cc1)COc1ccc(cc1)(C@@H)1Nc2c((C@H)3(C@@H)1CC=C3)cccc2C(F)(F)F
InChI=1SC26H21ClF3NOc271811716(81218)15321913917(101419)242141320(21)2252623(25(22)3124)26(2829)30h1351420212431H415H2t2021+24+m1s1
MFCD24850142
ZINC000014186365
ZINC14186365
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