Vitas-M small molecule compound

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

Catalog ID
STK957496
SMILES COC(=O)c1cc(N/C=C\2/C(=NN(C2=O)c2ccc(cc2C)C)C)ccc1Cl

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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 C21H20ClN3O3 MW 397.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O3/c1-12-5-8-19(13(2)9-12)25-20(26)17(14(3)24-25)11-23-15-6-7-18(22)16(10-15)21(27)28-4/h5-11,23H,1-4H3/b17-11-
InChIKey
JLZDASWQFRPPOL-BOPFTXTBSA-N
Synonyms
352683-90-0
352683900
CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=CC(=C(C=C3)Cl)C(=O)OC)C(=N2)C)C
COC(=O)c1cc(NC=C2C(=NN(C2=O)c2ccc(cc2C)C)C)ccc1Cl
InChI=1SC21H20ClN3O3c1125819(13(2)912)2520(26)17(14(3)2425)1123156718(22)16(1015)21(27)284h51123H14H3b1711
METHYL2CHLORO5(((1(24DIMETHYLPHENYL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)AMINO)BENZOATE
methyl2chloro5(((Z)(1(24dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
METHYL2CHLORO5(((Z)(1(24DIMETHYLPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)BENZOATE
MFCD01178508
ZINC000005578405
ZINC05578405
ZINC5578405

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Available files

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