Vitas-M small molecule compound

2-[(E)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)ethenyl]-8-methoxyquinoline

Catalog ID
STK980311
SMILES CCOc1c(Br)cc(cc1OC)/C=C/c1ccc2c(n1)c(OC)ccc2

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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 C21H20BrNO3 MW 414.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO3/c1-4-26-21-17(22)12-14(13-19(21)25-3)8-10-16-11-9-15-6-5-7-18(24-2)20(15)23-16/h5-13H,4H2,1-3H3/b10-8+
InChIKey
QMKNQNLZYZBCJU-CSKARUKUSA-N
Synonyms

2((E)2(3bromo4ethoxy5methoxyphenyl)ethenyl)8methoxyquinoline
CCOC1=C(C=C(C=C1Br)C=CC2=NC3=C(C=CC=C3OC)C=C2)OC
CCOc1c(Br)cc(cc1OC)C=Cc1ccc2c(n1)c(OC)ccc2
InChI=1SC21H20BrNO3c14262117(22)1214(1319(21)253)810161191565718(242)20(15)2316h513H4H213H3b108+
MFCD04216336
ZINC000004998356
ZINC04998356
ZINC4998356

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Available files

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