Vitas-M small molecule compound
diethyl 5-({(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STL295649
SMILES CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c2ccc(cc2)Cl)C)sc(c1C)C(=O)OCC
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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 C22H22ClN3O5S MW 475.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O5S/c1-5-30-21(28)17-12(3)18(22(29)31-6-2)32-19(17)24-11-16-13(4)25-26(20(16)27)15-9-7-14(23)8-10-15/h7-11,24H,5-6H2,1-4H3/b16-11+InChIKey
GHIGOZGVGGGOSW-LFIBNONCSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C
CCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccc(cc2)Cl)C)sc(c1C)C(=O)OCC
diethyl5(((E)(1(4chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)3methylthiophene24dicarboxylate
DIETHYL5(((E)(1(4CHLOROPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC22H22ClN3O5Sc153021(28)1712(3)18(22(29)3162)3219(17)24111613(4)2526(20(16)27)159714(23)81015h71124H56H214H3b1611+
MFCD28033066
ZINC000101112534
ZINC101112534
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