Vitas-M small molecule compound
ethyl 2-[(4E)-4-(3-bromo-4,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK710272
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2cc(Br)c(c(c2)OC)OC)/C1=O)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 C20H20BrN3O5S MW 494.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O5S/c1-6-29-19(26)17-11(3)22-20(30-17)24-18(25)13(10(2)23-24)7-12-8-14(21)16(28-5)15(9-12)27-4/h7-9H,6H2,1-5H3/b13-7+InChIKey
VZUSYSUWOGNOEL-NTUHNPAUSA-NSynonyms
590397-46-9(E)ethyl2(4(3bromo45dimethoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)4methylthiazole5carboxylate
590397469
CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OC)OC)C(=N2)C)C
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2cc(Br)c(c(c2)OC)OC)C1=O)C
ETHYL2((4E)4((3BROMO45DIMETHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((4E)4(3bromo45dimethoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)4methyl13thiazole5carboxylate
InChI=1SC20H20BrN3O5Sc162919(26)1711(3)2220(3017)2418(25)13(10(2)2324)712814(21)16(285)15(912)274h79H6H215H3b137+
MFCD04001811
ZINC000009295995
ZINC09295995
ZINC9295995
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