Vitas-M small molecule compound

4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide

Catalog ID
STK073453
SMILES CN1CCN(CC1)C(=S)Nc1ccc(cc1)[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 C12H16N4O2S MW 280.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O2S/c1-14-6-8-15(9-7-14)12(19)13-10-2-4-11(5-3-10)16(17)18/h2-5H,6-9H2,1H3,(H,13,19)
InChIKey
SXQZCXHNYYVDNL-UHFFFAOYSA-N
Synonyms
78721-53-6
1PIPERAZINECARBOTHIOAMIDE4METHYLN(4NITROPHENYL)
4METHYLN(4NITROPHENYL)1PIPERAZINECARBOTHIOAMIDE
4METHYLN(4NITROPHENYL)PIPERAZINE1CARBOTHIOAMIDE
78721536
CN1CCN(CC1)C(=S)Nc1ccc(cc1)(N+)(=O)(O)
CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC12H16N4O2Sc1146815(9714)12(19)13102411(5310)16(17)18h25H69H21H3(H1319)
MFCD02639594
N(4NITROPHENYL)4METHYL1PIPERAZINECARBOTHIOAMIDE
STK073453
ZINC000006375899
ZINC6375899

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Available files

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