Vitas-M small molecule compound
2-[(4-fluorobenzyl)sulfanyl]-7-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK580553
SMILES COc1cc(ccc1O)C1CC(=Nc2c1c(=O)nc(n2C)SCc1ccc(cc1)F)O
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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 C22H20FN3O4S MW 441.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN3O4S/c1-26-20-19(21(29)25-22(26)31-11-12-3-6-14(23)7-4-12)15(10-18(28)24-20)13-5-8-16(27)17(9-13)30-2/h3-9,15,27H,10-11H2,1-2H3,(H,24,28)InChIKey
DEZRGUHYIKQMKN-UHFFFAOYSA-NSynonyms
879442-71-42((4fluorobenzyl)sulfanyl)7hydroxy5(4hydroxy3methoxyphenyl)1methyl56dihydropyrido(23d)pyrimidin4(1H)one
2((4FLUOROPHENYL)METHYLSULFANYL)5(4HYDROXY3METHOXYPHENYL)1METHYL68DIHYDRO5HPYRIDO(23D)PYRIMIDINE47DIONE
879442714
CN1C2=C(C(CC(=O)N2)C3=CC(=C(C=C3)O)OC)C(=O)N=C1SCC4=CC=C(C=C4)F
InChI=1SC22H20FN3O4Sc1262019(21(29)2522(26)3111123614(23)7412)15(1018(28)2420)135816(27)17(913)302h391527H1011H212H3(H2428)
MFCD07200072
ZINC000016972407
ZINC000016972412
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