Vitas-M small molecule compound
methyl 5-({(E)-[1-(4-bromo-2,3-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-chlorobenzoate
Catalog ID
STL295757
SMILES COC(=O)c1cc(N/C=C/2\C(=NN(C2=O)c2ccc(c(c2C)C)Br)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 C21H19BrClN3O3 MW 476.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrClN3O3/c1-11-12(2)19(8-6-17(11)22)26-20(27)16(13(3)25-26)10-24-14-5-7-18(23)15(9-14)21(28)29-4/h5-10,24H,1-4H3/b16-10+InChIKey
IDXNTSZOJSSYKB-MHWRWJLKSA-NSynonyms
CC1=C(C=CC(=C1C)Br)N2C(=O)C(=CNC3=CC(=C(C=C3)Cl)C(=O)OC)C(=N2)C
COC(=O)c1cc(NC=C2C(=NN(C2=O)c2ccc(c(c2C)C)Br)C)ccc1Cl
InChI=1SC21H19BrClN3O3c11112(2)19(8617(11)22)2620(27)16(13(3)2526)1024145718(23)15(914)21(28)294h51024H14H3b1610+
methyl5(((E)(1(4bromo23dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)2chlorobenzoate
methyl5(((E)(1(4bromo23dimethylphenyl)3methyl5oxopyrazol4ylidene)methyl)amino)2chlorobenzoate
MFCD28033123
ZINC000101123292
ZINC08437830
ZINC101123292
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