Vitas-M small molecule compound

1,3-dimethyl-8-(methylsulfanyl)-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK868939
SMILES CSc1nc2c(n1Cc1cccc(c1)C(F)(F)F)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 C16H15F3N4O2S MW 384.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15F3N4O2S/c1-21-12-11(13(24)22(2)15(21)25)23(14(20-12)26-3)8-9-5-4-6-10(7-9)16(17,18)19/h4-7H,8H2,1-3H3
InChIKey
KXNYQFMJTVIYEH-UHFFFAOYSA-N
Synonyms
692280-55-0
13dimethyl8(methylsulfanyl)7(3(trifluoromethyl)benzyl)37dihydro1Hpurine26dione
13dimethyl8(methylthio)7(3(trifluoromethyl)benzyl)1Hpurine26(3H7H)dione
13DIMETHYL8METHYLSULFANYL7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE
692280550
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC)CC3=CC(=CC=C3)C(F)(F)F
InChI=1SC16H15F3N4O2Sc1211211(13(24)22(2)15(21)25)23(14(2012)263)8954610(79)16(1718)19h47H8H213H3
MFCD03722379
ZINC000001134466
ZINC01134466
ZINC1134466

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Available files

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