Vitas-M small molecule compound

[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl][2-(5-methyl-1H-tetrazol-1-yl)phenyl]methanone

Catalog ID
STL249109
SMILES O=C(c1ccccc1n1nnnc1C)N1CCN(CC1)C1CCS(=O)(=O)C1

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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 C17H22N6O3S MW 390.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N6O3S/c1-13-18-19-20-23(13)16-5-3-2-4-15(16)17(24)22-9-7-21(8-10-22)14-6-11-27(25,26)12-14/h2-5,14H,6-12H2,1H3
InChIKey
FANADSHZOJXLQA-UHFFFAOYSA-N
Synonyms
1374529-91-5
(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)(2(5methyl1Htetrazol1yl)phenyl)methanone
(4(11dioxothiolan3yl)piperazin1yl)(2(5methyltetrazol1yl)phenyl)methanone
1374529915
CC1=NN=NN1C2=CC=CC=C2C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4
InChI=1SC17H22N6O3Sc11318192023(13)16532415(16)17(24)229721(81022)1461127(2526)1214h2514H612H21H3
MFCD22204305
ZINC000072406029
ZINC000072406030

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Available files

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