Vitas-M small molecule compound
(4E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[2-(4-ethoxyphenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK001606
SMILES CCOc1ccc(cc1)N/N=C/1\C(=NN(C1=O)c1scc(n1)c1ccc(cc1)Br)C
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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 C21H18BrN5O2S MW 484.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN5O2S/c1-3-29-17-10-8-16(9-11-17)24-25-19-13(2)26-27(20(19)28)21-23-18(12-30-21)14-4-6-15(22)7-5-14/h4-12,24H,3H2,1-2H3/b25-19+InChIKey
UCJXQUJGYUVCKA-NCELDCMTSA-NSynonyms
(4E)2(4(4BROMOPHENYL)13THIAZOL2YL)4((4ETHOXYPHENYL)HYDRAZINYLIDENE)5METHYLPYRAZOL3ONE
(4E)2(4(4BROMOPHENYL)13THIAZOL2YL)4(2(4ETHOXYPHENYL)HYDRAZINYLIDENE)5METHYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=CC=C(C=C1)NN=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)Br)C
CCOc1ccc(cc1)NN=C1C(=NN(C1=O)c1scc(n1)c1ccc(cc1)Br)C
InChI=1SC21H18BrN5O2Sc13291710816(91117)24251913(2)2627(20(19)28)212318(123021)144615(22)7514h41224H3H212H3b2519+
MFCD02025944
STK001606
ZINC000008916037
ZINC100247304
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