Vitas-M small molecule compound

methyl 6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxylate

Catalog ID
STK449111
SMILES COC(=O)c1cc(nc2c1cc(Br)cc2)c1ccc(cc1)C(C)(C)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 C21H20BrNO2 MW 398.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO2/c1-21(2,3)14-7-5-13(6-8-14)19-12-17(20(24)25-4)16-11-15(22)9-10-18(16)23-19/h5-12H,1-4H3
InChIKey
MULPOSBJTMRHGX-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OC
InChI=1SC21H20BrNO2c121(23)147513(6814)191217(20(24)254)161115(22)91018(16)2319h512H14H3
METHYL2(4(TERTBUTYL)PHENYL)6BROMOQUINOLINE4CARBOXYLATE
METHYL6BROMO2(4TERTBUTYLPHENYL)4QUINOLINECARBOXYLATE
methyl6bromo2(4tertbutylphenyl)quinoline4carboxylate
MFCD03075240
ZINC000002760394
ZINC02760394
ZINC2760394

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Available files

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