Vitas-M small molecule compound
butyl 2-chloro-5-({(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Catalog ID
STL359600
SMILES CCCCOC(=O)c1cc(N/C=C/2\C(=NN(C2=O)c2ccc(cc2)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 C22H21Cl2N3O3 MW 446.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2N3O3/c1-3-4-11-30-22(29)18-12-16(7-10-20(18)24)25-13-19-14(2)26-27(21(19)28)17-8-5-15(23)6-9-17/h5-10,12-13,25H,3-4,11H2,1-2H3/b19-13+InChIKey
QXDMDMAJERMSLC-CPNJWEJPSA-NSynonyms
butyl2chloro5(((E)(1(4chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
butyl2chloro5(((E)(1(4chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)benzoate
CCCCOC(=O)C1=C(C=CC(=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)Cl
CCCCOC(=O)c1cc(NC=C2C(=NN(C2=O)c2ccc(cc2)Cl)C)ccc1Cl
InChI=1SC22H21Cl2N3O3c134113022(29)181216(71020(18)24)25131914(2)2627(21(19)28)178515(23)6917h510121325H3411H212H3b1913+
MFCD28033773
ZINC000095471601
ZINC95471601
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