Vitas-M small molecule compound
3-({[3-(4-fluorobenzyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL143357
SMILES N#Cc1cccc(c1)CSc1nc2ccsc2c(=O)n1Cc1ccc(cc1)F
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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 C21H14FN3OS2 MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14FN3OS2/c22-17-6-4-14(5-7-17)12-25-20(26)19-18(8-9-27-19)24-21(25)28-13-16-3-1-2-15(10-16)11-23/h1-10H,12-13H2InChIKey
HNTXVIHUDZGOQD-UHFFFAOYSA-NSynonyms
3(((3(4fluorobenzyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)methyl)benzonitrile
3((3((4fluorophenyl)methyl)4oxothieno(32d)pyrimidin2yl)sulfanylmethyl)benzonitrile
C1=CC(=CC(=C1)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)F)SC=C3)C#N
InChI=1SC21H14FN3OS2c22176414(5717)122520(26)1918(892719)2421(25)28131631215(1016)1123h110H1213H2
MFCD20749140
ZINC000071327569
ZINC71327569
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