Vitas-M small molecule compound

7-benzyl-1,3-dimethyl-8-[(3-methylbenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK537964
SMILES Cc1cccc(c1)CSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-15-8-7-11-17(12-15)14-29-21-23-19-18(20(27)25(3)22(28)24(19)2)26(21)13-16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3
InChIKey
IOXQYIBDLNWYOO-UHFFFAOYSA-N
Synonyms

372507454
7benzyl13dimethyl8((3methylbenzyl)sulfanyl)37dihydro1Hpurine26dione
7benzyl13dimethyl8((3methylbenzyl)thio)1Hpurine26(3H7H)dione
7BENZYL13DIMETHYL8((3METHYLPHENYL)METHYLSULFANYL)PURINE26DIONE
CC1=CC(=CC=C1)CSC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C
InChI=1SC22H22N4O2Sc115871117(1215)142921231918(20(27)25(3)22(28)24(19)2)26(21)131695461016h412H1314H213H3
MFCD01945261
ZINC000000629025
ZINC00629025
ZINC629025

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Available files

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