Vitas-M small molecule compound

N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]octanamide

Catalog ID
STL171160
SMILES CCCCCCCC(=O)Nc1scc(n1)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 C17H21N3O3S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3S/c1-2-3-4-5-6-7-16(21)19-17-18-15(12-24-17)13-8-10-14(11-9-13)20(22)23/h8-12H,2-7H2,1H3,(H,18,19,21)
InChIKey
CBSQLCKUONBUJQ-UHFFFAOYSA-N
Synonyms
353787-34-5
353787345
CCCCCCCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)(N+)(=O)(O)
CCCCCCCC(=O)Nc1scc(n1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC17H21N3O3Sc123456716(21)19171815(122417)1381014(11913)20(22)23h812H27H21H3(H181921)
MFCD01336082
N(4(4nitrophenyl)13thiazol2yl)octanamide
ZINC000002081241
ZINC02081241
ZINC2081241

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Available files

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