Vitas-M small molecule compound

7-[(2E)-but-2-en-1-yl]-6-hydroxy-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-2H-purin-2-one

Catalog ID
STL037167
SMILES CCCCCSc1nc2c(n1C/C=C/C)c(O)nc(=O)n2C

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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 C15H22N4O2S MW 322.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H22N4O2S/c1-4-6-8-10-22-15-16-12-11(19(15)9-7-5-2)13(20)17-14(21)18(12)3/h5,7H,4,6,8-10H2,1-3H3,(H,17,20,21)/b7-5+
InChIKey
MDGQSBKOEPAZHG-FNORWQNLSA-N
Synonyms
306733-09-5
306733095
CCCCCSc1nc2c(n1CC=CC)c(O)nc(=O)n2C
MFCD03798446
ZINC000012647489

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Available files

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