Vitas-M small molecule compound

N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]propanamide

Catalog ID
STK956519
SMILES CCC(=O)Nc1cc(Sc2nc3c(s2)cccc3)cc(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 C16H13N3O3S2 MW 359.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O3S2/c1-2-15(20)17-10-7-11(19(21)22)9-12(8-10)23-16-18-13-5-3-4-6-14(13)24-16/h3-9H,2H2,1H3,(H,17,20)
InChIKey
SOABPZUOLFOHRI-UHFFFAOYSA-N
Synonyms
339302-63-5
339302635
CCC(=O)NC1=CC(=CC(=C1)SC2=NC3=CC=CC=C3S2)(N+)(=O)(O)
CCC(=O)Nc1cc(Sc2nc3c(s2)cccc3)cc(c1)(N+)(=O)(O)
InChI=1SC16H13N3O3S2c1215(20)1710711(19(21)22)912(810)23161813534614(13)2416h39H2H21H3(H1720)
MFCD00390750
N(3(13benzothiazol2ylsulfanyl)5nitrophenyl)propanamide
N(5BENZOTHIAZOL2YLTHIO3NITROPHENYL)PROPANAMIDE
ZINC000002751431
ZINC02751431
ZINC2751431

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Available files

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