Vitas-M small molecule compound

2-[(3-nitrobenzyl)sulfanyl]-1H-benzimidazole

Catalog ID
STK733553
SMILES [O-][N+](=O)c1cccc(c1)CSc1nc2c([nH]1)cccc2

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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 C14H11N3O2S MW 285.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N3O2S/c18-17(19)11-5-3-4-10(8-11)9-20-14-15-12-6-1-2-7-13(12)16-14/h1-8H,9H2,(H,15,16)
InChIKey
YHIXOGCJHQORFX-UHFFFAOYSA-N
Synonyms
401589-66-0
(O)(N+)(=O)c1cccc(c1)CSc1nc2c((nH)1)cccc2
1HBENZIMIDAZOLE2(((3NITROPHENYL)METHYL)THIO)
2((3nitrobenzyl)sulfanyl)1Hbenzimidazole
2((3NITROBENZYL)THIO)1HBENZIMIDAZOLE
2((3nitrobenzyl)thio)1Hbenzo(d)imidazole
2((3NITROPHENYL)METHYLSULFANYL)1HBENZIMIDAZOLE
2((3NITROPHENYL)METHYLTHIO)BENZIMIDAZOLE
C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=CC=C3)(N+)(=O)(O)
Registry IDs
MFCD02106004
ZINC000000091914
ZINC00091914
ZINC91914

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Available files

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