Vitas-M small molecule compound

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

Catalog ID
STL006400
SMILES CC(Sc1nc2c(n1Cc1cccc3c1cccc3)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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-13(2)28-20-22-18-17(19(26)24(4)21(27)23(18)3)25(20)12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,13H,12H2,1-4H3
InChIKey
IRJUCBLCPNNDFF-UHFFFAOYSA-N
Synonyms
476480-85-0
13dimethyl7(naphthalen1ylmethyl)8(propan2ylsulfanyl)37dihydro1Hpurine26dione
13DIMETHYL7(NAPHTHALEN1YLMETHYL)8PROPAN2YLSULFANYLPURINE26DIONE
13DIMETHYL8(METHYLETHYLTHIO)7(NAPHTHYLMETHYL)137TRIHYDROPURINE26DIONE
476480850
8(ISOPROPYLTHIO)13DIMETHYL7(NAPHTHALEN1YLMETHYL)1HPURINE26(3H7H)DIONE
CC(C)SC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C
InChI=1SC21H22N4O2Sc113(2)2820221817(19(26)24(4)21(27)23(18)3)25(20)12151079148561116(14)15h51113H12H214H3
MFCD03933645
ZINC000000796308
ZINC00796308
ZINC796308

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Available files

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