Vitas-M small molecule compound
3-{[7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanenitrile
Catalog ID
STK689123
SMILES N#CCCSc1nc2c(n1Cc1c(F)cccc1Cl)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 C17H15ClFN5O2S MW 407.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClFN5O2S/c1-22-14-13(15(25)23(2)17(22)26)24(16(21-14)27-8-4-7-20)9-10-11(18)5-3-6-12(10)19/h3,5-6H,4,8-9H2,1-2H3InChIKey
WUHLFIDUDYJYFB-UHFFFAOYSA-NSynonyms
3((7(2chloro6fluorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanenitrile
3(7((2CHLORO6FLUOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLPROPANENITRILE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCC#N)CC3=C(C=CC=C3Cl)F
InChI=1SC17H15ClFN5O2Sc1221413(15(25)23(2)17(22)26)24(16(2114)2784720)91011(18)53612(10)19h356H489H212H3
MFCD03235114
ZINC000004632451
ZINC04632451
ZINC4632451
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