Vitas-M small molecule compound
ethyl 4-cyano-3-methyl-5-({(Z)-[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-2-carboxylate
Catalog ID
STK957965
SMILES CCOC(=O)c1sc(c(c1C)C#N)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 C20H15Cl3N4O3S MW 497.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15Cl3N4O3S/c1-4-30-20(29)17-9(2)12(7-24)18(31-17)25-8-13-10(3)26-27(19(13)28)16-14(22)5-11(21)6-15(16)23/h5-6,8,25H,4H2,1-3H3/b13-8-InChIKey
OBUVAUZGBYJATF-JYRVWZFOSA-NSynonyms
352704-54-2352704542
CCOC(=O)C1=C(C(=C(S1)NC=C2C(=NN(C2=O)C3=C(C=C(C=C3Cl)Cl)Cl)C)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC=C1C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)C
ETHYL4CYANO3METHYL5(((3METHYL5OXO1(246TRICHLOROPHENYL)15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)AMINO)2THIOPHENECARBOXYLATE
ethyl4cyano3methyl5(((Z)(3methyl5oxo1(246trichlorophenyl)15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene2carboxylate
ethyl4cyano3methyl5(((Z)(3methyl5oxo1(246trichlorophenyl)pyrazol4ylidene)methyl)amino)thiophene2carboxylate
InChI=1SC20H15Cl3N4O3Sc143020(29)179(2)12(724)18(3117)2581310(3)2627(19(13)28)1614(22)511(21)615(16)23h56825H4H213H3b138
MFCD01834746
ZINC000100207797
ZINC100207797
Check stock
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Check stock on Vitas-MAvailable files
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