Vitas-M small molecule compound
(4E)-4-[2-(3-bromo-4-methylphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK057500
SMILES NC(=S)N1N=C(/C(=N\Nc2ccc(c(c2)Br)C)/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 C12H12BrN5OS MW 354.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12BrN5OS/c1-6-3-4-8(5-9(6)13)15-16-10-7(2)17-18(11(10)19)12(14)20/h3-5,15H,1-2H3,(H2,14,20)/b16-10+InChIKey
PGVDPATWAZWHMH-MHWRWJLKSA-NSynonyms
(4E)4((3BROMO4METHYLPHENYL)HYDRAZINYLIDENE)3METHYL5OXOPYRAZOLE1CARBOTHIOAMIDE
(4E)4(2(3BROMO4METHYLPHENYL)HYDRAZINYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
CC1=C(C=C(C=C1)NN=C2C(=NN(C2=O)C(=S)N)C)Br
InChI=1SC12H12BrN5OSc16348(59(6)13)1516107(2)1718(11(10)19)12(14)20h3515H12H3(H21420)b1610+
MFCD02068044
NC(=S)N1N=C(C(=NNc2ccc(c(c2)Br)C)C1=O)C
STK057500
ZINC000018115443
ZINC100150422
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