Vitas-M small molecule compound

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

Catalog ID
STK840744
SMILES CC(=O)C(Sc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C)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 C18H20N4O3S MW 372.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O3S/c1-11(23)12(2)26-17-19-15-14(16(24)21(4)18(25)20(15)3)22(17)10-13-8-6-5-7-9-13/h5-9,12H,10H2,1-4H3
InChIKey
JLSBKIJRCKGEJG-UHFFFAOYSA-N
Synonyms
371221-31-7
13DIMETHYL8(1METHYL2OXOPROPYLTHIO)7BENZYL137TRIHYDROPURINE26DIONE
371221317
7BENZYL13DIMETHYL8((1METHYL2OXOPROPYL)THIO)37DIHYDRO1HPURINE26DIONE
7benzyl13dimethyl8((3oxobutan2yl)sulfanyl)37dihydro1Hpurine26dione
7benzyl13dimethyl8((3oxobutan2yl)thio)1Hpurine26(3H7H)dione
7BENZYL13DIMETHYL8(3OXOBUTAN2YLSULFANYL)PURINE26DIONE
CC(C(=O)C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C
InChI=1SC18H20N4O3Sc111(23)12(2)2617191514(16(24)21(4)18(25)20(15)3)22(17)10138657913h5912H10H214H3
MFCD02224156
ZINC000000863359
ZINC000000863360

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Available files

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