Vitas-M small molecule compound

[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl](3-methoxyphenyl)methanone

Catalog ID
STK718218
SMILES COc1cccc(c1)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc2c1non2

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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 C18H18N4O5S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5S/c1-26-14-5-2-4-13(12-14)18(23)21-8-10-22(11-9-21)28(24,25)16-7-3-6-15-17(16)20-27-19-15/h2-7,12H,8-11H2,1H3
InChIKey
FPBGRYDOFIPTBM-UHFFFAOYSA-N
Synonyms
1010907-01-3
(4(213benzoxadiazol4ylsulfonyl)piperazin1yl)(3methoxyphenyl)methanone
(4(benzo(c)(125)oxadiazol4ylsulfonyl)piperazin1yl)(3methoxyphenyl)methanone
1010907013
COC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43
InChI=1SC18H18N4O5Sc1261452413(1214)18(23)2181022(11921)28(2425)167361517(16)20271915h2712H811H21H3
MFCD12201441
ZINC000012389769
ZINC12389769

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Available files

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