Vitas-M small molecule compound

1,3-benzodioxol-5-yl[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]methanone

Catalog ID
STK635232
SMILES O=C(c1ccc2c(c1)OCO2)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 C18H16N4O6S MW 416.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O6S/c23-18(12-4-5-14-15(10-12)27-11-26-14)21-6-8-22(9-7-21)29(24,25)16-3-1-2-13-17(16)20-28-19-13/h1-5,10H,6-9,11H2
InChIKey
CONICYJUSDIZAF-UHFFFAOYSA-N
Synonyms
1010871-76-7
(4(benzo(c)(125)oxadiazol4ylsulfonyl)piperazin1yl)(benzo(d)(13)dioxol5yl)methanone
1010871767
13benzodioxol5yl(4(213benzoxadiazol4ylsulfonyl)piperazin1yl)methanone
C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=NON=C54
InChI=1SC18H16N4O6Sc2318(12451415(1012)27112614)216822(9721)29(2425)163121317(16)20281913h1510H6911H2
MFCD12204667
ZINC000012409361
ZINC12409361

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Available files

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