Vitas-M small molecule compound

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

Catalog ID
STL295834
SMILES CCCCOC(=O)c1cc(N/C=C/2\C(=NN(C2=O)c2cccc(c2)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/c1-3-4-10-30-22(29)18-12-16(8-9-20(18)24)25-13-19-14(2)26-27(21(19)28)17-7-5-6-15(23)11-17/h5-9,11-13,25H,3-4,10H2,1-2H3/b19-13+
InChIKey
NKWYDFIVFJQEJW-CPNJWEJPSA-N
Synonyms

butyl2chloro5(((E)(1(3chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
BUTYL2CHLORO5(((E)(1(3CHLOROPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)BENZOATE
CCCCOC(=O)C1=C(C=CC(=C1)NC=C2C(=NN(C2=O)C3=CC(=CC=C3)Cl)C)Cl
CCCCOC(=O)c1cc(NC=C2C(=NN(C2=O)c2cccc(c2)Cl)C)ccc1Cl
InChI=1SC22H21Cl2N3O3c134103022(29)181216(8920(18)24)25131914(2)2627(21(19)28)1775615(23)1117h59111325H3410H212H3b1913+
MFCD28033176
ZINC000101128816
ZINC08430306
ZINC101128816

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Available files

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