Vitas-M small molecule compound

6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-(piperidin-1-yl)pyrimidin-4-ol

Catalog ID
STK641672
SMILES Oc1cc(CSc2nc3c(s2)cccc3)nc(n1)N1CCCCC1

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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 C17H18N4OS2 MW 358.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4OS2/c22-15-10-12(18-16(20-15)21-8-4-1-5-9-21)11-23-17-19-13-6-2-3-7-14(13)24-17/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,18,20,22)
InChIKey
VQNZUIURYCPPJL-UHFFFAOYSA-N
Synonyms
933649-00-4
6((13benzothiazol2ylsulfanyl)methyl)2(piperidin1yl)pyrimidin4ol
6(13benzothiazol2ylsulfanylmethyl)2piperidin1yl1Hpyrimidin4one
933649004
C1CCN(CC1)C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3
InChI=1SC17H18N4OS2c22151012(1816(2015)218415921)1123171913623714(13)2417h236710H1458911H2(H182022)
MFCD09789050
ZINC000012389899
ZINC12389899
ZINC13549057

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Available files

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