Vitas-M small molecule compound

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

Catalog ID
STK307246
SMILES CCn1ncc(c1C)C(=O)/C=C/c1cc(Br)ccc1O

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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 C15H15BrN2O2 MW 335.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15BrN2O2/c1-3-18-10(2)13(9-17-18)15(20)6-4-11-8-12(16)5-7-14(11)19/h4-9,19H,3H2,1-2H3/b6-4+
InChIKey
ZYCDFEMSHCWATA-GQCTYLIASA-N
Synonyms
1005683-76-0
(2E)3(5bromo2hydroxyphenyl)1(1ethyl5methyl1Hpyrazol4yl)prop2en1one
(E)3(5BROMO2HYDROXYPHENYL)1(1ETHYL5METHYLPYRAZOL4YL)PROP2EN1ONE
1005683760
CCN1C(=C(C=N1)C(=O)C=CC2=C(C=CC(=C2)Br)O)C
CCn1ncc(c1C)C(=O)C=Cc1cc(Br)ccc1O
InChI=1SC15H15BrN2O2c131810(2)13(91718)15(20)6411812(16)5714(11)19h4919H3H212H3b64+
MFCD04130583
ZINC000006556028
ZINC06556028
ZINC6556028

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Available files

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