Vitas-M small molecule compound
butyl 4-({(Z)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Catalog ID
STL359285
SMILES CCCCOC(=O)c1ccc(cc1)N/C=C\1/C(=NN(C1=O)c1ccc(cc1)Cl)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 C22H22ClN3O3 MW 411.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O3/c1-3-4-13-29-22(28)16-5-9-18(10-6-16)24-14-20-15(2)25-26(21(20)27)19-11-7-17(23)8-12-19/h5-12,14,24H,3-4,13H2,1-2H3/b20-14-InChIKey
DRGZAAFMDAZPEO-ZHZULCJRSA-NSynonyms
butyl4(((Z)(1(4chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
BUTYL4(((Z)(1(4CHLOROPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C
CCCCOC(=O)c1ccc(cc1)NC=C1C(=NN(C1=O)c1ccc(cc1)Cl)C
InChI=1SC22H22ClN3O3c134132922(28)165918(10616)24142015(2)2526(21(20)27)1911717(23)81219h5121424H3413H212H3b2014
MFCD01019760
ZINC000004982657
ZINC04982657
ZINC4982657
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