Vitas-M small molecule compound
(3aS,4R,9bR)-4-(5-bromo-2-methoxyphenyl)-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Catalog ID
STL222113
SMILES COc1cc(cc2c1N[C@H]([C@@H]1[C@H]2C=CC1)c1cc(Br)ccc1OC)[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 C20H19BrN2O4 MW 431.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O4/c1-26-17-7-6-11(21)8-16(17)19-14-5-3-4-13(14)15-9-12(23(24)25)10-18(27-2)20(15)22-19/h3-4,6-10,13-14,19,22H,5H2,1-2H3/t13-,14+,19-/m1/s1InChIKey
JEBCZXMFVXGEIS-BIENJYKASA-NSynonyms
(3aS4R9bR)4(5bromo2methoxyphenyl)6methoxy8nitro3a459btetrahydro3Hcyclopenta(c)quinoline
COC1=C(C=C(C=C1)Br)C2C3CC=CC3C4=CC(=CC(=C4N2)OC)(N+)(=O)(O)
COc1cc(cc2c1N(C@H)((C@@H)1(C@H)2C=CC1)c1cc(Br)ccc1OC)(N+)(=O)(O)
InChI=1SC20H19BrN2O4c126177611(21)816(17)191453413(14)15912(23(24)25)1018(272)20(15)2219h3461013141922H5H212H3t1314+19m1s1
MFCD24857653
ZINC000004199914
ZINC04199914
ZINC4199914
Check stock
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