Vitas-M small molecule compound

2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-phenylhydrazinecarbothioamide

Catalog ID
STK956320
SMILES S=C(Nc1ccccc1)NNC(=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 C13H14ClN5OS MW 323.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14ClN5OS/c1-8-10(14)11(19(2)18-8)12(20)16-17-13(21)15-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,16,20)(H2,15,17,21)
InChIKey
YZFCMBFIERAVHP-UHFFFAOYSA-N
Synonyms
512812-79-2
1((4CHLORO25DIMETHYLPYRAZOLE3CARBONYL)AMINO)3PHENYLTHIOUREA
2((4chloro13dimethyl1Hpyrazol5yl)carbonyl)Nphenylhydrazinecarbothioamide
512812792
CC1=NN(C(=C1Cl)C(=O)NNC(=S)NC2=CC=CC=C2)C
InChI=1SC13H14ClN5OSc1810(14)11(19(2)188)12(20)161713(21)159643579h37H12H3(H1620)(H2151721)
MFCD03466667
ZINC000000373615
ZINC00373615
ZINC373615

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Available files

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