Vitas-M small molecule compound

2-(3-methylphenoxy)-1-{4-[(4-nitrophenyl)sulfonyl]piperazin-1-yl}ethanone

Catalog ID
STK194552
SMILES Cc1cccc(c1)OCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(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 C19H21N3O6S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O6S/c1-15-3-2-4-17(13-15)28-14-19(23)20-9-11-21(12-10-20)29(26,27)18-7-5-16(6-8-18)22(24)25/h2-8,13H,9-12,14H2,1H3
InChIKey
JWVDBYIIMFVGMB-UHFFFAOYSA-N
Synonyms
428837-95-0
1(4(4NITROBENZENESULFONYL)PIPERAZIN1YL)2MTOLYLOXYETHANONE
2(3METHYLPHENOXY)1(4((4NITROPHENYL)SULFONYL)PIPERAZIN1YL)ETHANONE
2(3METHYLPHENOXY)1(4(4NITROPHENYL)SULFONYLPIPERAZIN1YL)ETHANONE
428837950
CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)(N+)(=O)(O)
Cc1cccc(c1)OCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H21N3O6Sc11532417(1315)281419(23)2091121(121020)29(2627)187516(6818)22(24)25h2813H91214H21H3
MFCD02816618
ZINC000000899646
ZINC00899646
ZINC899646

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Available files

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