Vitas-M small molecule compound
ethyl 5-({(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4-cyano-3-methylthiophene-2-carboxylate
Catalog ID
STL295554
SMILES CCOC(=O)c1sc(c(c1C)C#N)N/C=C/1\C(=NN(C1=O)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 C20H17BrN4O3S MW 473.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN4O3S/c1-4-28-20(27)17-11(2)15(9-22)18(29-17)23-10-16-12(3)24-25(19(16)26)14-7-5-13(21)6-8-14/h5-8,10,23H,4H2,1-3H3/b16-10+InChIKey
UWEIXJRPQZTWPD-MHWRWJLKSA-NSynonyms
CCOC(=O)C1=C(C(=C(S1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC=C1C(=NN(C1=O)c1ccc(cc1)Br)C
ETHYL5(((1(4BROMOPHENYL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)AMINO)4CYANO3METHYL2THIOPHENECARBOXYLATE
ethyl5(((E)(1(4bromophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)4cyano3methylthiophene2carboxylate
ETHYL5(((E)(1(4BROMOPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
InChI=1SC20H17BrN4O3Sc142820(27)1711(2)15(922)18(2917)23101612(3)2425(19(16)26)147513(21)6814h581023H4H213H3b1610+
MFCD00606066
ZINC000101114208
ZINC101114208
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