Vitas-M small molecule compound
methyl 4-chloro-2-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Catalog ID
STK991714
SMILES COC(=O)c1ccc(cc1N/C=C/1\C(=NN(C1=O)c1ccccc1)C)Cl
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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 C19H16ClN3O3 MW 369.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O3/c1-12-16(18(24)23(22-12)14-6-4-3-5-7-14)11-21-17-10-13(20)8-9-15(17)19(25)26-2/h3-11,21H,1-2H3/b16-11+InChIKey
ZGJFGSXKYGBVRZ-LFIBNONCSA-NSynonyms
(E)methyl4chloro2(((3methyl5oxo1phenyl1Hpyrazol4(5H)ylidene)methyl)amino)benzoate
CC1=NN(C(=O)C1=CNC2=C(C=CC(=C2)Cl)C(=O)OC)C3=CC=CC=C3
COC(=O)c1ccc(cc1NC=C1C(=NN(C1=O)c1ccccc1)C)Cl
InChI=1SC19H16ClN3O3c11216(18(24)23(2212)146435714)1121171013(20)8915(17)19(25)262h31121H12H3b1611+
methyl4chloro2(((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
methyl4chloro2(((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)amino)benzoate
MFCD09847860
ZINC000101484778
ZINC101484778
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