Vitas-M small molecule compound

1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL005933
SMILES CCCSc1nc2c(n1Cc1cccc3c1cccc3)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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-4-12-28-20-22-18-17(19(26)24(3)21(27)23(18)2)25(20)13-15-10-7-9-14-8-5-6-11-16(14)15/h5-11H,4,12-13H2,1-3H3
InChIKey
CRHRPKLHZCMMGG-UHFFFAOYSA-N
Synonyms
476480-84-9
13dimethyl7(naphthalen1ylmethyl)8(propylsulfanyl)37dihydro1Hpurine26dione
13DIMETHYL7(NAPHTHALEN1YLMETHYL)8(PROPYLTHIO)1HPURINE26(3H7H)DIONE
13DIMETHYL7(NAPHTHALEN1YLMETHYL)8PROPYLSULFANYLPURINE26DIONE
476480849
CCCSC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C
InChI=1SC21H22N4O2Sc14122820221817(19(26)24(3)21(27)23(18)2)25(20)13151079148561116(14)15h511H41213H213H3
MFCD03933644
ZINC000008628366
ZINC08628366
ZINC8628366

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Available files

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