Vitas-M small molecule compound

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

Catalog ID
STK839983
SMILES Cc1cccc(c1)CSc1nc2c(n1Cc1cccc(c1)C)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 C23H24N4O2S MW 420.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O2S/c1-15-7-5-9-17(11-15)13-27-19-20(25(3)23(29)26(4)21(19)28)24-22(27)30-14-18-10-6-8-16(2)12-18/h5-12H,13-14H2,1-4H3
InChIKey
HHJZOSUFVFBASY-UHFFFAOYSA-N
Synonyms
376625-63-7
13DIMETHYL7((3METHYLPHENYL)METHYL)8((3METHYLPHENYL)METHYLSULFANYL)PURINE26DIONE
13DIMETHYL7((3METHYLPHENYL)METHYL)8((3METHYLPHENYL)METHYLTHIO)137TRIHYDROPURINE26DIONE
13dimethyl7(3methylbenzyl)8((3methylbenzyl)sulfanyl)37dihydro1Hpurine26dione
13DIMETHYL7(3METHYLBENZYL)8((3METHYLBENZYL)THIO)1HPURINE26(3H7H)DIONE
376625637
CC1=CC(=CC=C1)CN2C3=C(N=C2SCC4=CC=CC(=C4)C)N(C(=O)N(C3=O)C)C
InChI=1SC23H24N4O2Sc11575917(1115)13271920(25(3)23(29)26(4)21(19)28)2422(27)301418106816(2)1218h512H1314H214H3
MFCD02982429
ZINC000000637605
ZINC00637605
ZINC637605

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Available files

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