Vitas-M small molecule compound
(4E)-4-[2-(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK094421
SMILES NC(=S)N1N=C(/C(=N\Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-])/C1=O)c1ccc(cc1)[N+](=O)[O-]
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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 C16H9Cl2N7O5S MW 482.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9Cl2N7O5S/c17-10-5-9(25(29)30)6-11(18)13(10)20-21-14-12(22-23(15(14)26)16(19)31)7-1-3-8(4-2-7)24(27)28/h1-6,20H,(H2,19,31)/b21-14+InChIKey
UBFWBXSQYVOSES-KGENOOAVSA-NSynonyms
(4E)4((26DICHLORO4NITROPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXOPYRAZOLE1CARBOTHIOAMIDE(4E)4(2(26DICHLORO4NITROPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=C(C=C(C=C3Cl)(N+)(=O)(O))Cl)C(=S)N)(N+)(=O)(O)
NC(=S)N1N=C(C(=NNc2c(Cl)cc(cc2Cl)(N+)(=O)(O))C1=O)c1ccc(cc1)(N+)(=O)(O)
Registry IDs
MFCD01008359ZINC000100423255
ZINC12275824
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