Vitas-M small molecule compound

diethyl 5-({(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STK762268
SMILES CCOC(=O)c1c(N/C=C\2/C(=NN(C2=O)c2ccc(cc2C)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 C24H27N3O5S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O5S/c1-7-31-23(29)19-15(5)20(24(30)32-8-2)33-21(19)25-12-17-16(6)26-27(22(17)28)18-10-9-13(3)11-14(18)4/h9-12,25H,7-8H2,1-6H3/b17-12-
InChIKey
FTPUCZHWXUXUIO-ATVHPVEESA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC=C2C(=NN(C2=O)C3=C(C=C(C=C3)C)C)C
CCOC(=O)c1c(NC=C2C(=NN(C2=O)c2ccc(cc2C)C)C)sc(c1C)C(=O)OCC
DIETHYL5(((1(24DIMETHYLPHENYL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)AMINO)3METHYL24THIOPHENEDICARBOXYLATE
diethyl5(((Z)(1(24dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)3methylthiophene24dicarboxylate
DIETHYL5(((Z)(1(24DIMETHYLPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC24H27N3O5Sc173123(29)1915(5)20(24(30)3282)3321(19)25121716(6)2627(22(17)28)1810913(3)1114(18)4h91225H78H216H3b1712
MFCD00606650
ZINC000018128081
ZINC18128081

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.