Vitas-M small molecule compound

5-[1-(methylsulfonyl)piperidin-3-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK472432
SMILES C=CCn1c(S)nnc1C1CCCN(C1)S(=O)(=O)C

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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 C11H18N4O2S2 MW 302.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H18N4O2S2/c1-3-6-15-10(12-13-11(15)18)9-5-4-7-14(8-9)19(2,16)17/h3,9H,1,4-8H2,2H3,(H,13,18)
InChIKey
YTKJTDBSHLHUTQ-UHFFFAOYSA-N
Synonyms

1(METHYLSULFONYL)3(4PROP2ENYL5SULFANYL(124TRIAZOL3YL))PIPERIDINE
3(1methylsulfonylpiperidin3yl)4prop2enyl1H124triazole5thione
5(1(methylsulfonyl)piperidin3yl)4(prop2en1yl)4H124triazole3thiol
CS(=O)(=O)N1CCCC(C1)C2=NNC(=S)N2CC=C
InChI=1SC11H18N4O2S2c1361510(121311(15)18)954714(89)19(216)17h39H148H22H3(H1318)
MFCD07626051
ZINC000017030864
ZINC000017030866

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Available files

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