Vitas-M small molecule compound
2-{[5-(azepan-1-yl)-2-nitrophenyl]sulfanyl}-1H-benzimidazole
Catalog ID
STK172380
SMILES [O-][N+](=O)c1ccc(cc1Sc1nc2c([nH]1)cccc2)N1CCCCCC1
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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 C19H20N4O2S MW 368.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O2S/c24-23(25)17-10-9-14(22-11-5-1-2-6-12-22)13-18(17)26-19-20-15-7-3-4-8-16(15)21-19/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,20,21)InChIKey
FWQNXDJMGFGPJN-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1Sc1nc2c((nH)1)cccc2)N1CCCCCC1
2((5(AZEPAN1YL)2NITROPHENYL)SULFANYL)1HBENZIMIDAZOLE
2(5(AZEPAN1YL)2NITROPHENYL)SULFANYL1HBENZIMIDAZOLE
C1CCCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))SC3=NC4=CC=CC=C4N3
InChI=1SC19H20N4O2Sc2423(25)1710914(221151261222)1318(17)26192015734816(15)2119h3471013H12561112H2(H2021)
MFCD04082455
ZINC000004703747
ZINC04703747
ZINC4703747
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