Vitas-M small molecule compound
ethyl 2-chloro-5-({(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Catalog ID
STK957450
SMILES CCOC(=O)c1cc(N/C=C\2/C(=NN(C2=O)c2ccc(c(c2)C)C)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 C22H22ClN3O3 MW 411.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O3/c1-5-29-22(28)18-11-16(7-9-20(18)23)24-12-19-15(4)25-26(21(19)27)17-8-6-13(2)14(3)10-17/h6-12,24H,5H2,1-4H3/b19-12-InChIKey
GDLVUUREYRZTTI-UNOMPAQXSA-NSynonyms
352683-15-9352683159
CCOC(=O)C1=C(C=CC(=C1)NC=C2C(=NN(C2=O)C3=CC(=C(C=C3)C)C)C)Cl
CCOC(=O)c1cc(NC=C2C(=NN(C2=O)c2ccc(c(c2)C)C)C)ccc1Cl
ETHYL2CHLORO5(((1(34DIMETHYLPHENYL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)AMINO)BENZOATE
ethyl2chloro5(((Z)(1(34dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
ETHYL2CHLORO5(((Z)(1(34DIMETHYLPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)BENZOATE
InChI=1SC22H22ClN3O3c152922(28)181116(7920(18)23)24121915(4)2526(21(19)27)178613(2)14(3)1017h61224H5H214H3b1912
MFCD01178489
ZINC000017918429
ZINC17918429
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