Vitas-M small molecule compound

4-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide

Catalog ID
STK455503
SMILES COc1cc(ccc1NC(=S)N1CCN(CC1)c1ccccc1F)[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 C18H19FN4O3S MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19FN4O3S/c1-26-17-12-13(23(24)25)6-7-15(17)20-18(27)22-10-8-21(9-11-22)16-5-3-2-4-14(16)19/h2-7,12H,8-11H2,1H3,(H,20,27)
InChIKey
CWASBQANZNSNAH-UHFFFAOYSA-N
Synonyms

(4(2FLUOROPHENYL)PIPERAZINYL)((2METHOXY4NITROPHENYL)AMINO)METHANE1THIONE
4(2fluorophenyl)N(2methoxy4nitrophenyl)piperazine1carbothioamide
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=S)N2CCN(CC2)C3=CC=CC=C3F
COc1cc(ccc1NC(=S)N1CCN(CC1)c1ccccc1F)(N+)(=O)(O)
InChI=1SC18H19FN4O3Sc126171213(23(24)25)6715(17)2018(27)2210821(91122)16532414(16)19h2712H811H21H3(H2027)
MFCD04226979
ZINC000005042010
ZINC05042010
ZINC5042010

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Available files

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