Vitas-M small molecule compound
(3aS,4R,9bR)-6-bromo-4-{4-[(4-chlorobenzyl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL280651
SMILES Clc1ccc(cc1)COc1ccc(cc1)[C@@H]1Nc2c(Br)cccc2[C@H]2[C@@H]1CC=C2
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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 C25H21BrClNO MW 466.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrClNO/c26-23-6-2-5-22-20-3-1-4-21(20)24(28-25(22)23)17-9-13-19(14-10-17)29-15-16-7-11-18(27)12-8-16/h1-3,5-14,20-21,24,28H,4,15H2/t20-,21+,24+/m1/s1InChIKey
YQXIDARBAXXGPW-DPLHUUCSSA-NSynonyms
(3aS4R9bR)6bromo4(4((4chlorobenzyl)oxy)phenyl)3a459btetrahydro3Hcyclopenta(c)quinoline
(3aS4R9bR)6bromo4(4((4chlorophenyl)methoxy)phenyl)3a459btetrahydro3Hcyclopenta(c)quinoline
C1C=CC2C1C(NC3=C2C=CC=C3Br)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
Clc1ccc(cc1)COc1ccc(cc1)(C@@H)1Nc2c(Br)cccc2(C@H)2(C@@H)1CC=C2
InChI=1SC25H21BrClNOc2623625222031421(20)24(2825(22)23)1791319(141017)29151671118(27)12816h1351420212428H415H2t2021+24+m1s1
MFCD24850155
ZINC000009557701
ZINC9557701
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