Vitas-M small molecule compound
N-(azepan-1-ylcarbonothioyl)-3-nitrobenzamide
Catalog ID
STL062510
SMILES S=C(N1CCCCCC1)NC(=O)c1cccc(c1)[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 C14H17N3O3S MW 307.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O3S/c18-13(11-6-5-7-12(10-11)17(19)20)15-14(21)16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9H2,(H,15,18,21)InChIKey
JGQBXYQUZSINKB-UHFFFAOYSA-NSynonyms
C1CCCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC14H17N3O3Sc1813(1165712(1011)17(19)20)1514(21)1683124916h5710H1489H2(H151821)
MFCD03587261
N(azepan1ylcarbonothioyl)3nitrobenzamide
N(AZEPANE1CARBOTHIOYL)3NITROBENZAMIDE
S=C(N1CCCCCC1)NC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000000503183
ZINC00503183
ZINC503183
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