Vitas-M small molecule compound
butyl 2-chloro-5-({(E)-[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Catalog ID
STL294921
SMILES CCCCOC(=O)c1cc(N/C=C/2\C(=NN(C2=O)c2c(Cl)cc(cc2Cl)Cl)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 C22H19Cl4N3O3 MW 515.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Cl4N3O3/c1-3-4-7-32-22(31)15-10-14(5-6-17(15)24)27-11-16-12(2)28-29(21(16)30)20-18(25)8-13(23)9-19(20)26/h5-6,8-11,27H,3-4,7H2,1-2H3/b16-11+InChIKey
RHRWJIACOUZYBZ-LFIBNONCSA-NSynonyms
butyl2chloro5(((E)(3methyl5oxo1(246trichlorophenyl)15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
BUTYL2CHLORO5(((E)(3METHYL5OXO1(246TRICHLOROPHENYL)PYRAZOL4YLIDENE)METHYL)AMINO)BENZOATE
CCCCOC(=O)C1=C(C=CC(=C1)NC=C2C(=NN(C2=O)C3=C(C=C(C=C3Cl)Cl)Cl)C)Cl
CCCCOC(=O)c1cc(NC=C2C(=NN(C2=O)c2c(Cl)cc(cc2Cl)Cl)C)ccc1Cl
InChI=1SC22H19Cl4N3O3c13473222(31)151014(5617(15)24)27111612(2)2829(21(16)30)2018(25)813(23)919(20)26h5681127H347H212H3b1611+
MFCD28032833
ZINC000008440476
ZINC08440476
ZINC8440476
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