Vitas-M small molecule compound
4-butyl 2-prop-2-en-1-yl 3-methyl-5-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-2,4-dicarboxylate
Catalog ID
STK898039
SMILES CCCCOC(=O)c1c(N/C=C/2\C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OCC=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 C25H27N3O5S MW 481.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5S/c1-5-7-14-33-24(30)20-16(3)21(25(31)32-13-6-2)34-22(20)26-15-19-17(4)27-28(23(19)29)18-11-9-8-10-12-18/h6,8-12,15,26H,2,5,7,13-14H2,1,3-4H3/b19-15+InChIKey
YGQJNDUXJIOBAF-XDJHFCHBSA-NSynonyms
4butyl2prop2en1yl3methyl5(((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
4Obutyl2Oprop2enyl3methyl5(((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
CCCCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C
CCCCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OCC=C
InChI=1SC25H27N3O5Sc157143324(30)2016(3)21(25(31)321362)3422(20)26151917(4)2728(23(19)29)181198101218h68121526H2571314H2134H3b1915+
MFCD18172798
ZINC000044827063
ZINC44827063
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