Vitas-M small molecule compound
5-[(4Z)-4-(3-bromobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid
Catalog ID
STL432822
SMILES Brc1cccc(c1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)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 C18H12BrClN2O3 MW 419.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrClN2O3/c1-10-14(8-11-3-2-4-12(19)7-11)17(23)22(21-10)13-5-6-16(20)15(9-13)18(24)25/h2-9H,1H3,(H,24,25)/b14-8-InChIKey
FIIRZYXKAVKMJA-ZSOIEALJSA-NSynonyms
5((4Z)4((3BROMOPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)2CHLOROBENZOICACID
5((4Z)4(3bromobenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)2chlorobenzoicacid
Brc1cccc(c1)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
CC1=NN(C(=O)C1=CC2=CC(=CC=C2)Br)C3=CC(=C(C=C3)Cl)C(=O)O
InChI=1SC18H12BrClN2O3c11014(81132412(19)711)17(23)22(2110)135616(20)15(913)18(24)25h29H1H3(H2425)b148
MFCD01158566
ZINC000015658945
ZINC15658945
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