Vitas-M small molecule compound
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-(4-methoxybenzyl)thieno[3,2-d]pyrimidin-4(3H)-one
Catalog ID
STL143440
SMILES COc1ccc(cc1)Cn1c(SCc2c(F)cccc2Cl)nc2c(c1=O)scc2
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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 C21H16ClFN2O2S2 MW 446.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClFN2O2S2/c1-27-14-7-5-13(6-8-14)11-25-20(26)19-18(9-10-28-19)24-21(25)29-12-15-16(22)3-2-4-17(15)23/h2-10H,11-12H2,1H3InChIKey
GIUYVHRFBKBUMP-UHFFFAOYSA-NSynonyms
2((2chloro6fluorobenzyl)sulfanyl)3(4methoxybenzyl)thieno(32d)pyrimidin4(3H)one
2((2chloro6fluorophenyl)methylsulfanyl)3((4methoxyphenyl)methyl)thieno(32d)pyrimidin4one
COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=C(C=CC=C4Cl)F
InChI=1SC21H16ClFN2O2S2c127147513(6814)112520(26)1918(9102819)2421(25)29121516(22)32417(15)23h210H1112H21H3
MFCD20749229
ZINC000071327631
ZINC71327631
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