Vitas-M small molecule compound

methyl 4-(4-bromophenyl)-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-7-carboxylate

Catalog ID
STK125287
SMILES COC(=O)c1ccc2c(c1C)NC(C1C2C=CC1)c1ccc(cc1)Br

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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 C21H20BrNO2 MW 398.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO2/c1-12-15(21(24)25-2)10-11-18-16-4-3-5-17(16)20(23-19(12)18)13-6-8-14(22)9-7-13/h3-4,6-11,16-17,20,23H,5H2,1-2H3
InChIKey
LSGBAOYLKDLXLX-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC2=C1NC(C3C2C=CC3)C4=CC=C(C=C4)Br)C(=O)OC
InChI=1SC21H20BrNO2c11215(21(24)252)1011181643517(16)20(2319(12)18)136814(22)9713h3461116172023H5H212H3
METHYL4(4BROMOPHENYL)6METHYL3A459BTETRAHYDRO3HCYCLOPENTA(C)QUINOLINE7CARBOXYLATE
MFCD04128915
ZINC000004676602
ZINC000012630607

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.