Vitas-M small molecule compound
8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK840731
SMILES Cc1cccc(c1)Cn1c(SCc2c(F)cccc2Cl)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 C22H20ClFN4O2S MW 458.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClFN4O2S/c1-13-6-4-7-14(10-13)11-28-18-19(26(2)22(30)27(3)20(18)29)25-21(28)31-12-15-16(23)8-5-9-17(15)24/h4-10H,11-12H2,1-3H3InChIKey
MIVIDMQGTJKPCN-UHFFFAOYSA-NSynonyms
369404-08-0369404080
8((2chloro6fluorobenzyl)sulfanyl)13dimethyl7(3methylbenzyl)37dihydro1Hpurine26dione
8((2CHLORO6FLUOROBENZYL)THIO)13DIMETHYL7(3METHYLBENZYL)1HPURINE26(3H7H)DIONE
8((2CHLORO6FLUOROPHENYL)METHYLSULFANYL)13DIMETHYL7((3METHYLPHENYL)METHYL)PURINE26DIONE
8((2CHLORO6FLUOROPHENYL)METHYLTHIO)13DIMETHYL7((3METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
CC1=CC(=CC=C1)CN2C3=C(N=C2SCC4=C(C=CC=C4Cl)F)N(C(=O)N(C3=O)C)C
InChI=1SC22H20ClFN4O2Sc11364714(1013)11281819(26(2)22(30)27(3)20(18)29)2521(28)31121516(23)85917(15)24h410H1112H213H3
MFCD03010927
ZINC000000637139
ZINC00637139
ZINC637139
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