Vitas-M small molecule compound

8-[(3,4-diethoxybenzyl)sulfanyl]-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK771221
SMILES CCOc1cc(CSc2nc3c(n2Cc2ccccc2F)c(=O)n(c(=O)n3C)C)ccc1OCC

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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 C25H27FN4O4S MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN4O4S/c1-5-33-19-12-11-16(13-20(19)34-6-2)15-35-24-27-22-21(23(31)29(4)25(32)28(22)3)30(24)14-17-9-7-8-10-18(17)26/h7-13H,5-6,14-15H2,1-4H3
InChIKey
OBWBCBGTFXNZNM-UHFFFAOYSA-N
Synonyms

8((34diethoxybenzyl)sulfanyl)7(2fluorobenzyl)13dimethyl37dihydro1Hpurine26dione
8((34DIETHOXYPHENYL)METHYLSULFANYL)7((2FLUOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
CCOC1=C(C=C(C=C1)CSC2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C)OCC
InChI=1SC25H27FN4O4Sc153319121116(1320(19)3462)153524272221(23(31)29(4)25(32)28(22)3)30(24)14179781018(17)26h713H561415H214H3
MFCD03767184
ZINC000001074338
ZINC01074338
ZINC1074338

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Available files

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