Vitas-M small molecule compound

1,3-dimethyl-8-[(1H-tetrazol-5-ylmethyl)sulfanyl]-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK743841
SMILES Cn1c(=O)n(C)c2c(c1=O)n(Cc1cccc(c1)C(F)(F)F)c(n2)SCc1nnn[nH]1

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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 C17H15F3N8O2S MW 452.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15F3N8O2S/c1-26-13-12(14(29)27(2)16(26)30)28(15(21-13)31-8-11-22-24-25-23-11)7-9-4-3-5-10(6-9)17(18,19)20/h3-6H,7-8H2,1-2H3,(H,22,23,24,25)
InChIKey
VSVOVXDGONVHOZ-UHFFFAOYSA-N
Synonyms
847845-53-8
13dimethyl8((1Htetrazol5ylmethyl)sulfanyl)7(3(trifluoromethyl)benzyl)37dihydro1Hpurine26dione
13DIMETHYL8(2HTETRAZOL5YLMETHYLSULFANYL)7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE
8(((1Htetrazol5yl)methyl)thio)13dimethyl7(3(trifluoromethyl)benzyl)1Hpurine26(3H7H)dione
847845538
Cn1c(=O)n(C)c2c(c1=O)n(Cc1cccc(c1)C(F)(F)F)c(n2)SCc1nnn(nH)1
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NNN=N3)CC4=CC(=CC=C4)C(F)(F)F
InChI=1SC17H15F3N8O2Sc1261312(14(29)27(2)16(26)30)28(15(2113)318112224252311)7943510(69)17(1819)20h36H78H212H3(H22232425)
MFCD08291340
ZINC000009410852
ZINC9410852

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Available files

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