Vitas-M small molecule compound
(4E)-4-[2-(3-chloro-2-methylphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK046071
SMILES NC(=S)N1N=C(/C(=N\Nc2cccc(c2C)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 C12H12ClN5OS MW 309.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12ClN5OS/c1-6-8(13)4-3-5-9(6)15-16-10-7(2)17-18(11(10)19)12(14)20/h3-5,15H,1-2H3,(H2,14,20)/b16-10+InChIKey
PMMJOQOMOXPMHB-MHWRWJLKSA-NSynonyms
(4E)4((3CHLORO2METHYLPHENYL)HYDRAZINYLIDENE)3METHYL5OXOPYRAZOLE1CARBOTHIOAMIDE
(4E)4(2(3CHLORO2METHYLPHENYL)HYDRAZINYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
CC1=C(C=CC=C1Cl)NN=C2C(=NN(C2=O)C(=S)N)C
InChI=1SC12H12ClN5OSc168(13)4359(6)1516107(2)1718(11(10)19)12(14)20h3515H12H3(H21420)b1610+
MFCD01536988
NC(=S)N1N=C(C(=NNc2cccc(c2C)Cl)C1=O)C
STK046071
ZINC000100150370
ZINC06825132
ZINC100150368
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