Vitas-M small molecule compound
7-(3-fluorobenzyl)-8-[(2-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK869106
SMILES Fc1cccc(c1)Cn1c(SCc2ccccc2F)nc2c1c(=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 C21H18F2N4O2S MW 428.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F2N4O2S/c1-25-18-17(19(28)26(2)21(25)29)27(11-13-6-5-8-15(22)10-13)20(24-18)30-12-14-7-3-4-9-16(14)23/h3-10H,11-12H2,1-2H3InChIKey
IHBFJWRITVXJFM-UHFFFAOYSA-NSynonyms
812641-63-77((3FLUOROPHENYL)METHYL)8((2FLUOROPHENYL)METHYLSULFANYL)13DIMETHYLPURINE26DIONE
7(3fluorobenzyl)8((2fluorobenzyl)sulfanyl)13dimethyl37dihydro1Hpurine26dione
7(3fluorobenzyl)8((2fluorobenzyl)thio)13dimethyl1Hpurine26(3H7H)dione
812641637
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3F)CC4=CC(=CC=C4)F
InChI=1SC21H18F2N4O2Sc1251817(19(28)26(2)21(25)29)27(111365815(22)1013)20(2418)301214734916(14)23h310H1112H212H3
MFCD04208616
ZINC000001180712
ZINC01180712
ZINC1180712
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