Vitas-M small molecule compound
propan-2-yl 2-chloro-5-({(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Catalog ID
STL359422
SMILES CC(OC(=O)c1cc(N/C=C/2\C(=NN(C2=O)c2ccc(cc2)Cl)C)ccc1Cl)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 C21H19Cl2N3O3 MW 432.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N3O3/c1-12(2)29-21(28)17-10-15(6-9-19(17)23)24-11-18-13(3)25-26(20(18)27)16-7-4-14(22)5-8-16/h4-12,24H,1-3H3/b18-11+InChIKey
SALDKHIGYLSUJX-WOJGMQOQSA-NSynonyms
CC(OC(=O)c1cc(NC=C2C(=NN(C2=O)c2ccc(cc2)Cl)C)ccc1Cl)C
CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)Cl)C(=O)OC(C)C)C3=CC=C(C=C3)Cl
InChI=1SC21H19Cl2N3O3c112(2)2921(28)171015(6919(17)23)24111813(3)2526(20(18)27)167414(22)5816h41224H13H3b1811+
MFCD28033691
propan2yl2chloro5(((E)(1(4chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
propan2yl2chloro5(((E)(1(4chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)benzoate
ZINC000101112775
ZINC101112775
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