Vitas-M small molecule compound
3-{[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}-4-phenylquinolin-2(1H)-one
Catalog ID
STK068572
SMILES COCc1nc(nc(c1)O)Sc1c(=O)[nH]c2c(c1c1ccccc1)cccc2
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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 C21H17N3O3S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S/c1-27-12-14-11-17(25)24-21(22-14)28-19-18(13-7-3-2-4-8-13)15-9-5-6-10-16(15)23-20(19)26/h2-11H,12H2,1H3,(H,23,26)(H,22,24,25)InChIKey
CSGOBXYCTYHWDK-UHFFFAOYSA-NSynonyms
525582-49-43((4HYDROXY6(METHOXYMETHYL)PYRIMIDIN2YL)SULFANYL)4PHENYLQUINOLIN2(1H)ONE
3((4HYDROXY6(METHOXYMETHYL)PYRIMIDIN2YL)THIO)4PHENYLQUINOLIN2(1H)ONE
3((6(METHOXYMETHYL)4OXO1HPYRIMIDIN2YL)SULFANYL)4PHENYL1HQUINOLIN2ONE
525582494
COCC1=CC(=O)N=C(N1)SC2=C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4
COCc1nc(nc(c1)O)Sc1c(=O)(nH)c2c(c1c1ccccc1)cccc2
InChI=1SC21H17N3O3Sc12712141117(25)2421(2214)281918(137324813)159561016(15)2320(19)26h211H12H21H3(H2326)(H222425)
MFCD03194888
STK068572
ZINC000005126252
ZINC5126252
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