Vitas-M small molecule compound
4-butyl 2-methyl 3-methyl-5-{[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}thiophene-2,4-dicarboxylate
Catalog ID
STK898030
SMILES CCCCOC(=O)c1c(N/C=C\2/C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OC
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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/c1-5-6-12-31-22(28)18-14(2)19(23(29)30-4)32-20(18)24-13-17-15(3)25-26(21(17)27)16-10-8-7-9-11-16/h7-11,13,24H,5-6,12H2,1-4H3/b17-13-InChIKey
WURWTJUDTFYEAI-LGMDPLHJSA-NSynonyms
4butyl2methyl3methyl5(((Z)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
4Obutyl2Omethyl3methyl5(((Z)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)thiophene24dicarboxylate
CCCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C
CCCCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccccc2)C)sc(c1C)C(=O)OC
InChI=1SC23H25N3O5Sc156123122(28)1814(2)19(23(29)304)3220(18)24131715(3)2526(21(17)27)16108791116h7111324H5612H214H3b1713
MFCD18172790
ZINC000044827040
ZINC44827040
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