Vitas-M small molecule compound
1-(butan-2-yl)-7-[4-(difluoromethoxy)-3-methoxyphenyl]-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL181094
SMILES COc1cc(ccc1OC(F)F)c1nc2n(C(CC)C)c(S)nc(=O)c2c(c1)C(F)(F)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 C20H18F5N3O3S MW 475.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F5N3O3S/c1-4-9(2)28-16-15(17(29)27-19(28)32)11(20(23,24)25)8-12(26-16)10-5-6-13(31-18(21)22)14(7-10)30-3/h5-9,18H,4H2,1-3H3,(H,27,29,32)InChIKey
YPGWXAPJVABZDY-UHFFFAOYSA-NSynonyms
1011396-25-01(butan2yl)7(4(difluoromethoxy)3methoxyphenyl)2sulfanyl5(trifluoromethyl)pyrido(23d)pyrimidin4(1H)one
1011396250
1butan2yl7(4(difluoromethoxy)3methoxyphenyl)2sulfanylidene5(trifluoromethyl)pyrido(23d)pyrimidin4one
CCC(C)N1C2=C(C(=CC(=N2)C3=CC(=C(C=C3)OC(F)F)OC)C(F)(F)F)C(=O)NC1=S
InChI=1SC20H18F5N3O3Sc149(2)281615(17(29)2719(28)32)11(20(2324)25)812(2616)105613(3118(21)22)14(710)303h5918H4H213H3(H272932)
MFCD10701327
ZINC000036617071
ZINC000036617072
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