Vitas-M small molecule compound
4-{[7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}butanenitrile
Catalog ID
STK743405
SMILES N#CCCCSc1nc2c(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 C18H17ClFN5O2S MW 421.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClFN5O2S/c1-23-15-14(16(26)24(2)18(23)27)25(17(22-15)28-9-4-3-8-21)10-11-12(19)6-5-7-13(11)20/h5-7H,3-4,9-10H2,1-2H3InChIKey
DUYSWWLXBSKAEN-UHFFFAOYSA-NSynonyms
4((7(2chloro6fluorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)butanenitrile
4(7((2CHLORO6FLUOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLBUTANENITRILE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCC#N)CC3=C(C=CC=C3Cl)F
InChI=1SC18H17ClFN5O2Sc1231514(16(26)24(2)18(23)27)25(17(2215)28943821)101112(19)65713(11)20h57H34910H212H3
MFCD03821134
ZINC000006578090
ZINC06578090
ZINC6578090
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