Vitas-M small molecule compound

(2E)-3-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one

Catalog ID
STK868559
SMILES COc1cc(ccc1OC)C(=O)/C=C/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 C17H15BrO3 MW 347.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15BrO3/c1-20-16-10-6-13(11-17(16)21-2)15(19)9-5-12-3-7-14(18)8-4-12/h3-11H,1-2H3/b9-5+
InChIKey
AQCGUPISNITRRV-WEVVVXLNSA-N
Synonyms
881382-75-8
(2E)3(4bromophenyl)1(34dimethoxyphenyl)prop2en1one
(E)3(4BROMOPHENYL)1(34DIMETHOXYPHENYL)PROP2EN1ONE
(E)34DIMETHOXY4BROMOCHALCONE
881382758
COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Br)OC
COc1cc(ccc1OC)C(=O)C=Cc1ccc(cc1)Br
InChI=1SC17H15BrO3c1201610613(1117(16)212)15(19)95123714(18)8412h311H12H3b95+
MFCD00510408
ZINC000005005349
ZINC05005349
ZINC5005349

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Available files

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