Vitas-M small molecule compound
4-ethyl 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
STK898038
SMILES C=CCOC(=O)c1sc(c(c1C)C(=O)OCC)N/C=C/1\C(=NN(C1=O)c1ccccc1)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 C23H23N3O5S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5S/c1-5-12-31-23(29)19-14(3)18(22(28)30-6-2)20(32-19)24-13-17-15(4)25-26(21(17)27)16-10-8-7-9-11-16/h5,7-11,13,24H,1,6,12H2,2-4H3/b17-13+InChIKey
BVNHNLRVYLEGPN-GHRIWEEISA-NSynonyms
4ethyl2prop2en1yl3methyl5(((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
4Oethyl2Oprop2enyl3methyl5(((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
C=CCOC(=O)c1sc(c(c1C)C(=O)OCC)NC=C1C(=NN(C1=O)c1ccccc1)C
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C
InChI=1SC23H23N3O5Sc15123123(29)1914(3)18(22(28)3062)20(3219)24131715(4)2526(21(17)27)16108791116h57111324H1612H224H3b1713+
MFCD18172797
ZINC000044827060
ZINC44827060
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