Vitas-M small molecule compound

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

Catalog ID
STK465123
SMILES O=C(c1ccc2c(c1)OCO2)N1CCN(CC1)S(=O)(=O)c1cccs1

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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 C16H16N2O5S2 MW 380.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O5S2/c19-16(12-3-4-13-14(10-12)23-11-22-13)17-5-7-18(8-6-17)25(20,21)15-2-1-9-24-15/h1-4,9-10H,5-8,11H2
InChIKey
ACULBIWBFVMZNW-UHFFFAOYSA-N
Synonyms

13benzodioxol5yl(4(thiophen2ylsulfonyl)piperazin1yl)methanone
13BENZODIOXOL5YL(4THIOPHEN2YLSULFONYLPIPERAZIN1YL)METHANONE
2HBENZO(34D)13DIOXOLEN5YL4(2THIENYLSULFONYL)PIPERAZINYLKETONE
C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CS4
InChI=1SC16H16N2O5S2c1916(12341314(1012)23112213)175718(8617)25(2021)152192415h14910H5811H2
MFCD06624698
ZINC000002872520
ZINC02872520
ZINC2872520

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Available files

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