Vitas-M small molecule compound
2-{4-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitrophenyl]piperazin-1-yl}ethanol
Catalog ID
STK091402
SMILES OCCN1CCN(CC1)c1ccc(c(c1)Sc1nc2c([nH]1)cccc2)[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 C19H21N5O3S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O3S/c25-12-11-22-7-9-23(10-8-22)14-5-6-17(24(26)27)18(13-14)28-19-20-15-3-1-2-4-16(15)21-19/h1-6,13,25H,7-12H2,(H,20,21)InChIKey
QACLWOIBBYOHQP-UHFFFAOYSA-NSynonyms
2(4(3((1Hbenzo(d)imidazol2yl)thio)4nitrophenyl)piperazin1yl)ethanol
2(4(3(1HBENZIMIDAZOL2YLSULFANYL)4NITROPHENYL)PIPERAZIN1YL)ETHANOL
2(4(3(1HBENZIMIDAZOL2YLTHIO)4NITROPHENYL)1PIPERAZINYL)ETHANOL
C1CN(CCN1CCO)C2=CC(=C(C=C2)(N+)(=O)(O))SC3=NC4=CC=CC=C4N3
InChI=1SC19H21N5O3Sc251211227923(10822)145617(24(26)27)18(1314)28192015312416(15)2119h161325H712H2(H2021)
MFCD01173841
OCCN1CCN(CC1)c1ccc(c(c1)Sc1nc2c((nH)1)cccc2)(N+)(=O)(O)
STK091402
ZINC000020023834
ZINC20023834
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