Vitas-M small molecule compound

6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol

Catalog ID
STK598732
SMILES Oc1nc(SCCc2ccccc2)c2c(n1)nc[nH]2

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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 C13H12N4OS MW 272.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4OS/c18-13-16-11-10(14-8-15-11)12(17-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16,17,18)
InChIKey
HVWMEVGIBHEXJR-UHFFFAOYSA-N
Synonyms
879472-64-7
6((2phenylethyl)sulfanyl)7Hpurin2ol
6(2phenylethylsulfanyl)37dihydropurin2one
6PHENETHYLSULFANYL37DIHYDROPURIN2ONE
879472647
C1=CC=C(C=C1)CCSC2=NC(=O)NC3=C2NC=N3
InChI=1SC13H12N4OSc1813161110(1481511)12(1713)19769421359h158H67H2(H21415161718)
MFCD07209227
Oc1nc(SCCc2ccccc2)c2c(n1)nc(nH)2
ZINC000002360018
ZINC2360018

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Available files

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