Vitas-M small molecule compound
ethyl 5-({(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-chlorobenzoate
Catalog ID
STL359433
SMILES CCOC(=O)c1cc(N/C=C/2\C(=NN(C2=O)c2ccc(cc2)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 C20H17BrClN3O3 MW 462.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrClN3O3/c1-3-28-20(27)16-10-14(6-9-18(16)22)23-11-17-12(2)24-25(19(17)26)15-7-4-13(21)5-8-15/h4-11,23H,3H2,1-2H3/b17-11+InChIKey
XIHFIIJLZOFOBK-GZTJUZNOSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C)Cl
CCOC(=O)c1cc(NC=C2C(=NN(C2=O)c2ccc(cc2)Br)C)ccc1Cl
ethyl5(((E)(1(4bromophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)2chlorobenzoate
ethyl5(((E)(1(4bromophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)2chlorobenzoate
InChI=1SC20H17BrClN3O3c132820(27)161014(6918(16)22)23111712(2)2425(19(17)26)157413(21)5815h41123H3H212H3b1711+
MFCD28033696
ZINC000095471524
ZINC95471524
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