Vitas-M small molecule compound

4-chloro-N-[(2-iodophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide

Catalog ID
STK317663
SMILES S=C(Nc1ccccc1I)NC(=O)c1n(C)nc(c1Cl)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 C13H12ClIN4OS MW 434.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12ClIN4OS/c1-7-10(14)11(19(2)18-7)12(20)17-13(21)16-9-6-4-3-5-8(9)15/h3-6H,1-2H3,(H2,16,17,20,21)
InChIKey
NPMBHQWYYGIKTB-UHFFFAOYSA-N
Synonyms
494218-89-2
494218892
4chloroN((2iodophenyl)carbamothioyl)13dimethyl1Hpyrazole5carboxamide
4CHLORON((2IODOPHENYL)CARBAMOTHIOYL)25DIMETHYLPYRAZOLE3CARBOXAMIDE
CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=CC=CC=C2I)C
InChI=1SC13H12ClIN4OSc1710(14)11(19(2)187)12(20)1713(21)16964358(9)15h36H12H3(H216172021)
MFCD02374397
ZINC000002784187
ZINC02784187
ZINC2784187

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Available files

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