Vitas-M small molecule compound

5-({(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-chlorobenzoic acid

Catalog ID
STL295452
SMILES Brc1ccc(cc1)N1N=C(/C(=C\Nc2ccc(c(c2)C(=O)O)Cl)/C1=O)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 C18H13BrClN3O3 MW 434.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13BrClN3O3/c1-10-15(9-21-12-4-7-16(20)14(8-12)18(25)26)17(24)23(22-10)13-5-2-11(19)3-6-13/h2-9,21H,1H3,(H,25,26)/b15-9+
InChIKey
LESZHEREKFPFIP-OQLLNIDSSA-N
Synonyms

5(((E)(1(4bromophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)2chlorobenzoicacid
5(((E)(1(4bromophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)2chlorobenzoicacid
Brc1ccc(cc1)N1N=C(C(=CNc2ccc(c(c2)C(=O)O)Cl)C1=O)C
CC1=NN(C(=O)C1=CNC2=CC(=C(C=C2)Cl)C(=O)O)C3=CC=C(C=C3)Br
InChI=1SC18H13BrClN3O3c11015(921124716(20)14(812)18(25)26)17(24)23(2210)135211(19)3613h2921H1H3(H2526)b159+
MFCD28032996
ZINC000101114492
ZINC101114492

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Available files

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