Vitas-M small molecule compound
ethyl 4-({(E)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Catalog ID
STL360607
SMILES CCOC(=O)c1ccc(cc1)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)C)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 C21H21N3O3 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3/c1-4-27-21(26)16-7-9-17(10-8-16)22-13-19-15(3)23-24(20(19)25)18-11-5-14(2)6-12-18/h5-13,22H,4H2,1-3H3/b19-13+InChIKey
MIEWRNAOOGJTRO-CPNJWEJPSA-NSynonyms
(E)ethyl4(((3methyl5oxo1(ptolyl)1Hpyrazol4(5H)ylidene)methyl)amino)benzoate
CCOC(=O)C1=CC=C(C=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)C)C
CCOC(=O)c1ccc(cc1)NC=C1C(=NN(C1=O)c1ccc(cc1)C)C
ethyl4(((E)(3methyl1(4methylphenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
ETHYL4(((E)(3METHYL1(4METHYLPHENYL)5OXOPYRAZOL4YLIDENE)METHYL)AMINO)BENZOATE
InChI=1SC21H21N3O3c142721(26)167917(10816)22131915(3)2324(20(19)25)1811514(2)61218h51322H4H213H3b1913+
MFCD00355409
ZINC000005327483
ZINC5327483
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