Vitas-M small molecule compound
diethyl 3-methyl-5-({(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-2,4-dicarboxylate
Catalog ID
STL295672
SMILES CCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c2ccc(cc2)C)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 C23H25N3O5S MW 455.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O5S/c1-6-30-22(28)18-14(4)19(23(29)31-7-2)32-20(18)24-12-17-15(5)25-26(21(17)27)16-10-8-13(3)9-11-16/h8-12,24H,6-7H2,1-5H3/b17-12+InChIKey
WQADKWRJKCJLTF-SFQUDFHCSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)C)C
CCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccc(cc2)C)C)sc(c1C)C(=O)OCC
diethyl3methyl5(((E)(3methyl1(4methylphenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
diethyl3methyl5(((E)(3methyl1(4methylphenyl)5oxopyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
InChI=1SC23H25N3O5Sc163022(28)1814(4)19(23(29)3172)3220(18)24121715(5)2526(21(17)27)1610813(3)91116h81224H67H215H3b1712+
MFCD28033076
ZINC000101113085
ZINC101113085
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