Vitas-M small molecule compound
(3aS,4R,9bR)-4-{4-[(4-chlorobenzyl)oxy]phenyl}-6-methyl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL222121
SMILES Clc1ccc(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 C26H23ClN2O3 MW 446.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O3/c1-16-5-14-23(29(30)31)24-21-3-2-4-22(21)26(28-25(16)24)18-8-12-20(13-9-18)32-15-17-6-10-19(27)11-7-17/h2-3,5-14,21-22,26,28H,4,15H2,1H3/t21-,22+,26+/m1/s1InChIKey
USDLBYONAFLMIO-UFPGJGBJSA-NSynonyms
(3aS4R9bR)4(4((4chlorobenzyl)oxy)phenyl)6methyl9nitro3a459btetrahydro3Hcyclopenta(c)quinoline
(3aS4R9bR)4(4((4chlorophenyl)methoxy)phenyl)6methyl9nitro3a459btetrahydro3Hcyclopenta(c)quinoline
CC1=C2C(=C(C=C1)(N+)(=O)(O))C3C=CCC3C(N2)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl
Clc1ccc(cc1)COc1ccc(cc1)(C@@H)1Nc2c(C)ccc(c2(C@H)2(C@@H)1CC=C2)(N+)(=O)(O)
InChI=1SC26H23ClN2O3c11651423(29(30)31)242132422(21)26(2825(16)24)1881220(13918)32151761019(27)11717h2351421222628H415H21H3t2122+26+m1s1
MFCD24857661
ZINC000014186270
ZINC14186270
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