Vitas-M small molecule compound
(2E)-3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Catalog ID
STL395746
SMILES COc1cc(ccc1O)C(=O)/C=C/c1c(Br)cnn1C
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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 C14H13BrN2O3 MW 337.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13BrN2O3/c1-17-11(10(15)8-16-17)4-6-12(18)9-3-5-13(19)14(7-9)20-2/h3-8,19H,1-2H3/b6-4+InChIKey
ZXCZOZZXSXKXJJ-GQCTYLIASA-NSynonyms
1005651-96-6(2E)3(4BROMO1METHYL1HPYRAZOL5YL)1(4HYDROXY3METHOXYPHENYL)PROP2EN1ONE
(E)3(4BROMO2METHYLPYRAZOL3YL)1(4HYDROXY3METHOXYPHENYL)PROP2EN1ONE
1005651966
CN1C(=C(C=N1)Br)C=CC(=O)C2=CC(=C(C=C2)O)OC
COc1cc(ccc1O)C(=O)C=Cc1c(Br)cnn1C
InChI=1SC14H13BrN2O3c11711(10(15)81617)4612(18)93513(19)14(79)202h3819H12H3b64+
MFCD04052693
ZINC000006790312
ZINC06790312
ZINC6790312
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