Vitas-M small molecule compound

3-[1-(methylsulfonyl)piperidin-4-yl]-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STL509509
SMILES CS(=O)(=O)N1CCC(CC1)c1nnc2n1nc(s2)C12CC3CC(C2)CC(C1)C3

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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 C19H27N5O2S2 MW 421.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H27N5O2S2/c1-28(25,26)23-4-2-15(3-5-23)16-20-21-18-24(16)22-17(27-18)19-9-12-6-13(10-19)8-14(7-12)11-19/h12-15H,2-11H2,1H3
InChIKey
BMQQTBWERLVWRD-UHFFFAOYSA-N
Synonyms

134692816
3(1(methylsulfonyl)piperidin4yl)6(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazole
6(1ADAMANTYL)3(1(METHYLSULFONYL)4PIPERIDINYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
6(1adamantyl)3(1methylsulfonylpiperidin4yl)(124)triazolo(34b)(134)thiadiazole
InChI=1SC19H27N5O2S2c128(2526)234215(3523)1620211824(16)2217(2718)19912613(1019)814(712)1119h1215H211H21H3
ZINC001501040143

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Available files

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