Vitas-M small molecule compound

4-{[4-(3-fluorobenzyl)piperazin-1-yl]sulfonyl}-2,1,3-benzoxadiazole

Catalog ID
STK466960
SMILES Fc1cccc(c1)CN1CCN(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 C17H17FN4O3S MW 376.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17FN4O3S/c18-14-4-1-3-13(11-14)12-21-7-9-22(10-8-21)26(23,24)16-6-2-5-15-17(16)20-25-19-15/h1-6,11H,7-10,12H2
InChIKey
IYHOVHSZDHIIEL-UHFFFAOYSA-N
Synonyms

4((4((3FLUOROPHENYL)METHYL)PIPERAZINYL)SULFONYL)BENZO(C)125OXADIAZOLE
4((4(3fluorobenzyl)piperazin1yl)sulfonyl)213benzoxadiazole
4(4((3fluorophenyl)methyl)piperazin1yl)sulfonyl213benzoxadiazole
C1CN(CCN1CC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC4=NON=C43
InChI=1SC17H17FN4O3Sc181441313(1114)12217922(10821)26(2324)166251517(16)20251915h1611H71012H2
MFCD06061972
ZINC000017076940
ZINC17076940

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Available files

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