Vitas-M small molecule compound
(4E)-4-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-5-methyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295600
SMILES CCOc1ccc2c(c1)sc(n2)N/C=C/1\C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)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 C20H15Cl3N4O2S MW 481.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15Cl3N4O2S/c1-3-29-12-4-5-16-17(8-12)30-20(25-16)24-9-13-10(2)26-27(19(13)28)18-14(22)6-11(21)7-15(18)23/h4-9H,3H2,1-2H3,(H,24,25)/b13-9+InChIKey
LYRITSZYLHQAIZ-UKTHLTGXSA-NSynonyms
(4E)4(((6ethoxy13benzothiazol2yl)amino)methylidene)5methyl2(246trichlorophenyl)24dihydro3Hpyrazol3one
(4E)4(((6ethoxy13benzothiazol2yl)amino)methylidene)5methyl2(246trichlorophenyl)pyrazol3one
CCOC1=CC2=C(C=C1)N=C(S2)NC=C3C(=NN(C3=O)C4=C(C=C(C=C4Cl)Cl)Cl)C
CCOc1ccc2c(c1)sc(n2)NC=C1C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)C
InChI=1SC20H15Cl3N4O2Sc132912451617(812)3020(2516)2491310(2)2627(19(13)28)1814(22)611(21)715(18)23h49H3H212H3(H2425)b139+
MFCD28033045
ZINC000101114372
ZINC101114372
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