Vitas-M small molecule compound
(3aS,4R,9bR)-4-{4-[(4-chlorobenzyl)oxy]phenyl}-6,8-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL280642
SMILES Clc1ccc(cc1)COc1ccc(cc1)[C@@H]1Nc2c(C)cc(cc2[C@H]2[C@@H]1CC=C2)C
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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 C27H26ClNO MW 415.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClNO/c1-17-14-18(2)26-25(15-17)23-4-3-5-24(23)27(29-26)20-8-12-22(13-9-20)30-16-19-6-10-21(28)11-7-19/h3-4,6-15,23-24,27,29H,5,16H2,1-2H3/t23-,24+,27+/m1/s1InChIKey
QOEIODXPCHCUMV-DXBVXKBHSA-NSynonyms
(3aS4R9bR)4(4((4chlorobenzyl)oxy)phenyl)68dimethyl3a459btetrahydro3Hcyclopenta(c)quinoline
(3aS4R9bR)4(4((4chlorophenyl)methoxy)phenyl)68dimethyl3a459btetrahydro3Hcyclopenta(c)quinoline
CC1=CC(=C2C(=C1)C3C=CCC3C(N2)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl)C
Clc1ccc(cc1)COc1ccc(cc1)(C@@H)1Nc2c(C)cc(cc2(C@H)2(C@@H)1CC=C2)C
InChI=1SC27H26ClNOc1171418(2)2625(1517)2343524(23)27(2926)2081222(13920)30161961021(28)11719h3461523242729H516H212H3t2324+27+m1s1
MFCD24850146
ZINC000006044082
ZINC6044082
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