Vitas-M small molecule compound

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

Catalog ID
STK455792
SMILES S=C(N1CCN(CC1)S(=O)(=O)C)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 C12H16N4O4S2 MW 344.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O4S2/c1-22(19,20)15-8-6-14(7-9-15)12(21)13-10-2-4-11(5-3-10)16(17)18/h2-5H,6-9H2,1H3,(H,13,21)
InChIKey
DUHFPHDCPUJUNZ-UHFFFAOYSA-N
Synonyms

1(METHYLSULFONYL)4(((4NITROPHENYL)AMINO)THIOXOMETHYL)PIPERAZINE
4(methylsulfonyl)N(4nitrophenyl)piperazine1carbothioamide
4METHYLSULFONYLN(4NITROPHENYL)PIPERAZINE1CARBOTHIOAMIDE
CS(=O)(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC12H16N4O4S2c122(1920)158614(7915)12(21)13102411(5310)16(17)18h25H69H21H3(H1321)
MFCD04228648
S=C(N1CCN(CC1)S(=O)(=O)C)Nc1ccc(cc1)(N+)(=O)(O)
ZINC000004999117
ZINC04999117
ZINC4999117

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Available files

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