Vitas-M small molecule compound
1-(butan-2-yl)-5-(difluoromethyl)-7-(3,4-dimethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179386
SMILES CCC(n1c(S)nc(=O)c2c1nc(cc2C(F)F)c1ccc(c(c1)OC)OC)C
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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 C20H21F2N3O3S MW 421.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21F2N3O3S/c1-5-10(2)25-18-16(19(26)24-20(25)29)12(17(21)22)9-13(23-18)11-6-7-14(27-3)15(8-11)28-4/h6-10,17H,5H2,1-4H3,(H,24,26,29)InChIKey
QHLLUAFIMJXKAF-UHFFFAOYSA-NSynonyms
1011383-35-91(butan2yl)5(difluoromethyl)7(34dimethoxyphenyl)2sulfanylpyrido(23d)pyrimidin4(1H)one
1011383359
1butan2yl5(difluoromethyl)7(34dimethoxyphenyl)2sulfanylidenepyrido(23d)pyrimidin4one
CCC(C)N1C2=C(C(=CC(=N2)C3=CC(=C(C=C3)OC)OC)C(F)F)C(=O)NC1=S
InChI=1SC20H21F2N3O3Sc1510(2)251816(19(26)2420(25)29)12(17(21)22)913(2318)116714(273)15(811)284h61017H5H214H3(H242629)
MFCD09472731
ZINC000020604234
ZINC000020604236
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