Vitas-M small molecule compound
(3aS,4R,9bR)-6-methyl-4-{4-[(4-methylbenzyl)oxy]phenyl}-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL222117
SMILES Cc1ccc(cc1)COc1ccc(cc1)[C@@H]1Nc2c(C)ccc(c2[C@H]2[C@@H]1CC=C2)[N+](=O)[O-]
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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 C27H26N2O3 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3/c1-17-6-9-19(10-7-17)16-32-21-13-11-20(12-14-21)27-23-5-3-4-22(23)25-24(29(30)31)15-8-18(2)26(25)28-27/h3-4,6-15,22-23,27-28H,5,16H2,1-2H3/t22-,23+,27+/m1/s1InChIKey
OHVBKSMMCGXVLP-KHVXQDHOSA-NSynonyms
(3aS4R9bR)6methyl4(4((4methylbenzyl)oxy)phenyl)9nitro3a459btetrahydro3Hcyclopenta(c)quinoline
(3aS4R9bR)6methyl4(4((4methylphenyl)methoxy)phenyl)9nitro3a459btetrahydro3Hcyclopenta(c)quinoline
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3C4CC=CC4C5=C(C=CC(=C5N3)C)(N+)(=O)(O)
Cc1ccc(cc1)COc1ccc(cc1)(C@@H)1Nc2c(C)ccc(c2(C@H)2(C@@H)1CC=C2)(N+)(=O)(O)
InChI=1SC27H26N2O3c1176919(10717)163221131120(121421)272353422(23)2524(29(30)31)15818(2)26(25)2827h3461522232728H516H212H3t2223+27+m1s1
MFCD24857657
ZINC000014186272
ZINC14186272
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