Vitas-M small molecule compound

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

Catalog ID
STK838106
SMILES C=CCn1c(SCc2cccc(c2)C)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 C18H20N4O2S MW 356.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2S/c1-5-9-22-14-15(20(3)18(24)21(4)16(14)23)19-17(22)25-11-13-8-6-7-12(2)10-13/h5-8,10H,1,9,11H2,2-4H3
InChIKey
AXBCNVRWRGSJDX-UHFFFAOYSA-N
Synonyms
333306-71-1
13dimethyl8((3methylbenzyl)sulfanyl)7(prop2en1yl)37dihydro1Hpurine26dione
13DIMETHYL8((3METHYLPHENYL)METHYLSULFANYL)7PROP2ENYLPURINE26DIONE
13DIMETHYL8((3METHYLPHENYL)METHYLTHIO)7PROP2ENYL137TRIHYDROPURINE26DIONE
333306711
7allyl13dimethyl8((3methylbenzyl)thio)1Hpurine26(3H7H)dione
7ALLYL13DIMETHYL8((3METHYLBENZYL)THIO)37DIHYDRO1HPURINE26DIONE
7ALLYL13DIMETHYL8(3METHYLBENZYLSULFANYL)37DIHYDROPURINE26DIONE
CC1=CC(=CC=C1)CSC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C
InChI=1SC18H20N4O2Sc159221415(20(3)18(24)21(4)16(14)23)1917(22)25111386712(2)1013h5810H1911H224H3
MFCD02732625
ZINC000000624703
ZINC00624703
ZINC624703

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Available files

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