Vitas-M small molecule compound
(4E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxybenzylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK045195
SMILES COc1cc(ccc1OC)/C=C/1\C(=NN(C1=O)c1scc(n1)c1ccc(cc1)Br)c1ccccc1
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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 C27H20BrN3O3S MW 546.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20BrN3O3S/c1-33-23-13-8-17(15-24(23)34-2)14-21-25(19-6-4-3-5-7-19)30-31(26(21)32)27-29-22(16-35-27)18-9-11-20(28)12-10-18/h3-16H,1-2H3/b21-14+InChIKey
UUVKQMQEXZUQML-KGENOOAVSA-NSynonyms
(4E)2(4(4bromophenyl)13thiazol2yl)4((34dimethoxyphenyl)methylidene)5phenylpyrazol3one
(4E)2(4(4BROMOPHENYL)13THIAZOL2YL)4(34DIMETHOXYBENZYLIDENE)5PHENYL24DIHYDRO3HPYRAZOL3ONE
COC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)Br)C5=CC=CC=C5)OC
COc1cc(ccc1OC)C=C1C(=NN(C1=O)c1scc(n1)c1ccc(cc1)Br)c1ccccc1
InChI=1SC27H20BrN3O3Sc1332313817(1524(23)342)142125(196435719)3031(26(21)32)272922(163527)1891120(28)121018h316H12H3b2114+
MFCD01579635
STK045195
ZINC000100004946
ZINC100004946
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