Vitas-M small molecule compound

4-[(E)-(2-chlorophenyl)diazenyl]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

Catalog ID
STK061326
SMILES NC(=S)N1N=C(C(C1=O)/N=N/c1ccccc1Cl)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 C16H11ClN6O3S MW 402.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN6O3S/c17-11-3-1-2-4-12(11)19-20-14-13(21-22(15(14)24)16(18)27)9-5-7-10(8-6-9)23(25)26/h1-8,14H,(H2,18,27)/b20-19+
InChIKey
SRQTVNVFHFTYLB-FMQUCBEESA-N
Synonyms

4((E)(2chlorophenyl)diazenyl)3(4nitrophenyl)5oxo45dihydro1Hpyrazole1carbothioamide
MFCD01418629
NC(=S)N1N=C(C(C1=O)N=Nc1ccccc1Cl)c1ccc(cc1)(N+)(=O)(O)
STK061326
ZINC000102067779
ZINC000102067782

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.