Vitas-M small molecule compound
ethyl 4-cyano-5-({(Z)-[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-methylthiophene-2-carboxylate
Catalog ID
STK963181
SMILES CCOC(=O)c1sc(c(c1C)C#N)N/C=C\1/C(=NN(C1=O)c1ccc(cc1)F)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 C20H17FN4O3S MW 412.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FN4O3S/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
LOJZNSHHXKXXMH-YBEGLDIGSA-NSynonyms
CCOC(=O)C1=C(C(=C(S1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)F)C)C#N)C
CCOC(=O)c1sc(c(c1C)C#N)NC=C1C(=NN(C1=O)c1ccc(cc1)F)C
ethyl4cyano5(((Z)(1(4fluorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)3methylthiophene2carboxylate
ethyl4cyano5(((Z)(1(4fluorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)3methylthiophene2carboxylate
InChI=1SC20H17FN4O3Sc142820(27)1711(2)15(922)18(2917)23101612(3)2425(19(16)26)147513(21)6814h581023H4H213H3b1610
MFCD01648088
ZINC000005717740
ZINC5717740
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