Vitas-M small molecule compound

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

Catalog ID
STL295407
SMILES CCCCOC(=O)c1cc(N/C=C/2\C(=NN(C2=O)c2ccc(cc2)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 C23H24ClN3O3 MW 425.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN3O3/c1-4-5-12-30-23(29)19-13-17(8-11-21(19)24)25-14-20-16(3)26-27(22(20)28)18-9-6-15(2)7-10-18/h6-11,13-14,25H,4-5,12H2,1-3H3/b20-14+
InChIKey
CAUWCQDDWTUZEM-XSFVSMFZSA-N
Synonyms

butyl2chloro5(((E)(3methyl1(4methylphenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
BUTYL2CHLORO5(((E)(3METHYL1(4METHYLPHENYL)5OXOPYRAZOL4YLIDENE)METHYL)AMINO)BENZOATE
CCCCOC(=O)C1=C(C=CC(=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)C)C)Cl
CCCCOC(=O)c1cc(NC=C2C(=NN(C2=O)c2ccc(cc2)C)C)ccc1Cl
InChI=1SC23H24ClN3O3c145123023(29)191317(81121(19)24)25142016(3)2627(22(20)28)189615(2)71018h611131425H4512H213H3b2014+
MFCD28032974
ZINC000101114194
ZINC08430291
ZINC101114194

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Available files

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