Vitas-M small molecule compound

2-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]sulfanyl}-1H-benzimidazole

Catalog ID
STK008881
SMILES [O-][N+](=O)c1ccc(cc1Sc1nc2c([nH]1)cccc2)N1CCCC1

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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 C17H16N4O2S MW 340.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O2S/c22-21(23)15-8-7-12(20-9-3-4-10-20)11-16(15)24-17-18-13-5-1-2-6-14(13)19-17/h1-2,5-8,11H,3-4,9-10H2,(H,18,19)
InChIKey
BVMWTMUSHQLPPU-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1Sc1nc2c((nH)1)cccc2)N1CCCC1
2((2NITRO5(1PYRROLIDINYL)PHENYL)SULFANYL)1HBENZIMIDAZOLE
2((2NITRO5(PYRROLIDIN1YL)PHENYL)SULFANYL)1HBENZIMIDAZOLE
2((2nitro5(pyrrolidin1yl)phenyl)thio)1Hbenzo(d)imidazole
2(2NITRO5PYRROLIDIN1YLPHENYL)SULFANYL1HBENZIMIDAZOLE
2(2NITRO5PYRROLIDIN1YLPHENYLSULFANYL)1HBENZOIMIDAZOLE
2BENZIMIDAZOL2YLTHIO1NITRO4PYRROLIDINYLBENZENE
C1CCN(C1)C2=CC(=C(C=C2)(N+)(=O)(O))SC3=NC4=CC=CC=C4N3
InChI=1SC17H16N4O2Sc2221(23)158712(209341020)1116(15)24171813512614(13)1917h125811H34910H2(H1819)
MFCD00607424
STK008881
ZINC000003876242
ZINC03876242
ZINC3876242

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Available files

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