Vitas-M small molecule compound

N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N-(2-methoxy-5-nitrophenyl)methanesulfonamide

Catalog ID
STL071939
SMILES COc1ccc(cc1N(S(=O)(=O)C)CC(=O)N1CCN(CC1)c1ccc(cc1)F)[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 C20H23FN4O6S MW 466.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23FN4O6S/c1-31-19-8-7-17(25(27)28)13-18(19)24(32(2,29)30)14-20(26)23-11-9-22(10-12-23)16-5-3-15(21)4-6-16/h3-8,13H,9-12,14H2,1-2H3
InChIKey
FXIVFHAVFGNQHM-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)(N+)(=O)(O))N(CC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)S(=O)(=O)C
COc1ccc(cc1N(S(=O)(=O)C)CC(=O)N1CCN(CC1)c1ccc(cc1)F)(N+)(=O)(O)
InChI=1SC20H23FN4O6Sc131198717(25(27)28)1318(19)24(32(229)30)1420(26)2311922(101223)165315(21)4616h3813H91214H212H3
MFCD06630398
N(2(4(4fluorophenyl)piperazin1yl)2oxoethyl)N(2methoxy5nitrophenyl)methanesulfonamide
ZINC000016226952
ZINC16226952

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Available files

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