Vitas-M small molecule compound
(2E)-3-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Catalog ID
STL394258
SMILES COc1ccc(cc1Cn1ncc(c1)Br)/C=C/C(=O)c1ccc(c(c1)OC)O
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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 C21H19BrN2O4 MW 443.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O4/c1-27-20-8-4-14(9-16(20)12-24-13-17(22)11-23-24)3-6-18(25)15-5-7-19(26)21(10-15)28-2/h3-11,13,26H,12H2,1-2H3/b6-3+InChIKey
HGBGZJTYHJBYAU-ZZXKWVIFSA-NSynonyms
1005614-15-2(2E)3(3((4BROMO1HPYRAZOL1YL)METHYL)4METHOXYPHENYL)1(4HYDROXY3METHOXYPHENYL)PROP2EN1ONE
(E)3(3((4bromopyrazol1yl)methyl)4methoxyphenyl)1(4hydroxy3methoxyphenyl)prop2en1one
1005614152
COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)O)OC)CN3C=C(C=N3)Br
COc1ccc(cc1Cn1ncc(c1)Br)C=CC(=O)c1ccc(c(c1)OC)O
InChI=1SC21H19BrN2O4c127208414(916(20)12241317(22)112324)3618(25)155719(26)21(1015)282h3111326H12H212H3b63+
MFCD04135842
ZINC000019637677
ZINC19637677
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