Vitas-M small molecule compound

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

Catalog ID
STK839891
SMILES Cc1cccc(c1)Cn1c(SCC(=O)c2ccccc2)nc2c1c(=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 C23H22N4O3S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3S/c1-15-8-7-9-16(12-15)13-27-19-20(25(2)23(30)26(3)21(19)29)24-22(27)31-14-18(28)17-10-5-4-6-11-17/h4-12H,13-14H2,1-3H3
InChIKey
IOTVGEKQTCYRSW-UHFFFAOYSA-N
Synonyms
371134-23-5
13DIMETHYL7((3METHYLPHENYL)METHYL)8(2OXO2PHENYLETHYLTHIO)137TRIHYDROPURINE26DIONE
13DIMETHYL7((3METHYLPHENYL)METHYL)8PHENACYLSULFANYLPURINE26DIONE
13dimethyl7(3methylbenzyl)8((2oxo2phenylethyl)sulfanyl)37dihydro1Hpurine26dione
13DIMETHYL7(3METHYLBENZYL)8((2OXO2PHENYLETHYL)THIO)1HPURINE26(3H7H)DIONE
371134235
CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=O)C4=CC=CC=C4)N(C(=O)N(C3=O)C)C
InChI=1SC23H22N4O3Sc11587916(1215)13271920(25(2)23(30)26(3)21(19)29)2422(27)311418(28)17105461117h412H1314H213H3
MFCD03008604
ZINC000000637549
ZINC00637549
ZINC637549

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Available files

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