Vitas-M small molecule compound
(3aS,4R,9bR)-4-{4-[(4-chlorobenzyl)oxy]phenyl}-6-methoxy-9-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL280641
SMILES COc1ccc(c2c1N[C@@H](c1ccc(cc1)OCc1ccc(cc1)Cl)[C@@H]1[C@H]2C=CC1)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 C27H26ClNO2 MW 431.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClNO2/c1-17-6-15-24(30-2)27-25(17)22-4-3-5-23(22)26(29-27)19-9-13-21(14-10-19)31-16-18-7-11-20(28)12-8-18/h3-4,6-15,22-23,26,29H,5,16H2,1-2H3/t22-,23+,26+/m1/s1InChIKey
RGAIBFLEFABAIK-UMFSSWHCSA-NSynonyms
(3aS4R9bR)4(4((4chlorobenzyl)oxy)phenyl)6methoxy9methyl3a459btetrahydro3Hcyclopenta(c)quinoline
(3aS4R9bR)4(4((4chlorophenyl)methoxy)phenyl)6methoxy9methyl3a459btetrahydro3Hcyclopenta(c)quinoline
CC1=C2C3C=CCC3C(NC2=C(C=C1)OC)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
COc1ccc(c2c1N(C@@H)(c1ccc(cc1)OCc1ccc(cc1)Cl)(C@@H)1(C@H)2C=CC1)C
InChI=1SC27H26ClNO2c11761524(302)2725(17)2243523(22)26(2927)1991321(141019)31161871120(28)12818h3461522232629H516H212H3t2223+26+m1s1
MFCD24850145
ZINC000014186268
ZINC14186268
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