Vitas-M small molecule compound
2-{[1-(2-chlorophenyl)-4-oxo-6-(2-phenylethyl)-1,4,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Catalog ID
STK696109
SMILES O=C(Nc1ccc(cc1)F)CSc1nc(=O)c2c(n1c1ccccc1Cl)NCN(C2)CCc1ccccc1
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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 C28H25ClFN5O2S MW 550.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClFN5O2S/c29-23-8-4-5-9-24(23)35-26-22(16-34(18-31-26)15-14-19-6-2-1-3-7-19)27(37)33-28(35)38-17-25(36)32-21-12-10-20(30)11-13-21/h1-13,31H,14-18H2,(H,32,36)InChIKey
ZUKHINHJXZPFFE-UHFFFAOYSA-NSynonyms
2((1(2chlorophenyl)4oxo6(2phenylethyl)145678hexahydropyrimido(45d)pyrimidin2yl)sulfanyl)N(4fluorophenyl)acetamide
2((1(2chlorophenyl)4oxo6(2phenylethyl)78dihydro5Hpyrimido(45d)pyrimidin2yl)sulfanyl)N(4fluorophenyl)acetamide
C1C2=C(NCN1CCC3=CC=CC=C3)N(C(=NC2=O)SCC(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5Cl
InChI=1SC28H25ClFN5O2Sc2923845924(23)352622(1634(183126)1514196213719)27(37)3328(35)381725(36)3221121020(30)111321h11331H1418H2(H3236)
MFCD08098280
ZINC000100229302
ZINC100229302
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