Vitas-M small molecule compound
5-({(Z)-[1-(4-bromo-2-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-1H-isoindole-1,3(2H)-dione
Catalog ID
STL359743
SMILES Brc1ccc(c(c1)C)N1N=C(/C(=C/Nc2ccc3c(c2)C(=O)NC3=O)/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 C20H15BrN4O3 MW 439.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN4O3/c1-10-7-12(21)3-6-17(10)25-20(28)16(11(2)24-25)9-22-13-4-5-14-15(8-13)19(27)23-18(14)26/h3-9,22H,1-2H3,(H,23,26,27)/b16-9-InChIKey
RLOOQTNLXUKURQ-SXGWCWSVSA-NSynonyms
5(((Z)(1(4bromo2methylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)1Hisoindole13(2H)dione
5(((Z)(1(4bromo2methylphenyl)3methyl5oxopyrazol4ylidene)methyl)amino)isoindole13dione
Brc1ccc(c(c1)C)N1N=C(C(=CNc2ccc3c(c2)C(=O)NC3=O)C1=O)C
CC1=C(C=CC(=C1)Br)N2C(=O)C(=CNC3=CC4=C(C=C3)C(=O)NC4=O)C(=N2)C
InChI=1SC20H15BrN4O3c110712(21)3617(10)2520(28)16(11(2)2425)92213451415(813)19(27)2318(14)26h3922H12H3(H232627)b169
MFCD28033781
ZINC000095471606
ZINC95471606
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