Vitas-M small molecule compound

(2E)-1-(4-bromo-1-methyl-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

Catalog ID
STK308945
SMILES COc1cc(/C=C/C(=O)c2c(Br)cnn2C)ccc1OC

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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 C15H15BrN2O3 MW 351.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15BrN2O3/c1-18-15(11(16)9-17-18)12(19)6-4-10-5-7-13(20-2)14(8-10)21-3/h4-9H,1-3H3/b6-4+
InChIKey
HHGKZJPARHYIPW-GQCTYLIASA-N
Synonyms
1005556-33-1
(2E)1(4bromo1methyl1Hpyrazol5yl)3(34dimethoxyphenyl)prop2en1one
(E)1(4BROMO2METHYLPYRAZOL3YL)3(34DIMETHOXYPHENYL)PROP2EN1ONE
1005556331
CN1C(=C(C=N1)Br)C(=O)C=CC2=CC(=C(C=C2)OC)OC
COc1cc(C=CC(=O)c2c(Br)cnn2C)ccc1OC
InChI=1SC15H15BrN2O3c11815(11(16)91718)12(19)64105713(202)14(810)213h49H13H3b64+
MFCD04133034
ZINC000006925455
ZINC06925455
ZINC6925455

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Available files

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