Vitas-M small molecule compound

1-(4-methylpiperazin-1-yl)-2-[(5-nitropyridin-2-yl)sulfanyl]ethanone

Catalog ID
STK743506
SMILES CN1CCN(CC1)C(=O)CSc1ccc(cn1)[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 C12H16N4O3S MW 296.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O3S/c1-14-4-6-15(7-5-14)12(17)9-20-11-3-2-10(8-13-11)16(18)19/h2-3,8H,4-7,9H2,1H3
InChIKey
PDEARSXSBATTOR-UHFFFAOYSA-N
Synonyms

1(4methylpiperazin1yl)2((5nitropyridin2yl)sulfanyl)ethanone
1(4methylpiperazin1yl)2((5nitropyridin2yl)thio)ethanonehydrochloride
1(4METHYLPIPERAZIN1YL)2(5NITROPYRIDIN2YL)SULFANYLETHANONE
CN1CCN(CC1)C(=O)CSc1ccc(cn1)(N+)(=O)(O)
CN1CCN(CC1)C(=O)CSc1ccc(cn1)(N+)(=O)(O)Cl
CN1CCN(CC1)C(=O)CSC2=NC=C(C=C2)(N+)(=O)(O)
InChI=1SC12H16N4O3Sc1144615(7514)12(17)920113210(81311)16(18)19h238H479H21H3
MFCD06781829
ZINC000019799419
ZINC19799419

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Available files

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