Vitas-M small molecule compound
propyl 2-chloro-5-({(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Catalog ID
STL359298
SMILES CCCOC(=O)c1cc(N/C=C/2\C(=NN(C2=O)c2ccc(cc2)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 C22H22ClN3O3 MW 411.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O3/c1-4-11-29-22(28)18-12-16(7-10-20(18)23)24-13-19-15(3)25-26(21(19)27)17-8-5-14(2)6-9-17/h5-10,12-13,24H,4,11H2,1-3H3/b19-13+InChIKey
GKVLVANGFKXYLD-CPNJWEJPSA-NSynonyms
CCCOC(=O)C1=C(C=CC(=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)C)C)Cl
CCCOC(=O)c1cc(NC=C2C(=NN(C2=O)c2ccc(cc2)C)C)ccc1Cl
InChI=1SC22H22ClN3O3c14112922(28)181216(71020(18)23)24131915(3)2526(21(19)27)178514(2)6917h510121324H411H213H3b1913+
MFCD28033636
propyl2chloro5(((E)(3methyl1(4methylphenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
propyl2chloro5(((E)(3methyl1(4methylphenyl)5oxopyrazol4ylidene)methyl)amino)benzoate
ZINC000095471461
ZINC95471461
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