Vitas-M small molecule compound

N-[(2-fluoro-5-nitrophenyl)carbamothioyl]pentanamide

Catalog ID
STK060772
SMILES CCCCC(=O)NC(=S)Nc1cc(ccc1F)[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 C12H14FN3O3S MW 299.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14FN3O3S/c1-2-3-4-11(17)15-12(20)14-10-7-8(16(18)19)5-6-9(10)13/h5-7H,2-4H2,1H3,(H2,14,15,17,20)
InChIKey
QGTXPXWDADFYBG-UHFFFAOYSA-N
Synonyms
429651-07-0
429651070
CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)(N+)(=O)(O))F
CCCCC(=O)NC(=S)Nc1cc(ccc1F)(N+)(=O)(O)
InChI=1SC12H14FN3O3Sc123411(17)1512(20)141078(16(18)19)569(10)13h57H24H21H3(H214151720)
MFCD02631943
N((2FLUORO5NITROPHENYL)CARBAMOTHIOYL)PENTANAMIDE
N(2FLUORO5NITROPHENYL)NPENTANOYLTHIOUREA
STK060772
ZINC000002052101
ZINC02052101
ZINC2052101

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Available files

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