Vitas-M small molecule compound
7-(4-ethylphenyl)-2-sulfanyl-1-(tetrahydrofuran-2-ylmethyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179269
SMILES CCc1ccc(cc1)c1cc(c2c(n1)n(CC1CCCO1)c(nc2=O)S)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 C21H20F3N3O2S MW 435.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N3O2S/c1-2-12-5-7-13(8-6-12)16-10-15(21(22,23)24)17-18(25-16)27(20(30)26-19(17)28)11-14-4-3-9-29-14/h5-8,10,14H,2-4,9,11H2,1H3,(H,26,28,30)InChIKey
AFAUPTYEODSIIE-UHFFFAOYSA-NSynonyms
1011394-92-51011394925
7(4ethylphenyl)1(oxolan2ylmethyl)2sulfanylidene5(trifluoromethyl)pyrido(23d)pyrimidin4one
7(4ethylphenyl)2sulfanyl1(tetrahydrofuran2ylmethyl)5(trifluoromethyl)pyrido(23d)pyrimidin4(1H)one
CCC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=O)NC(=S)N3CC4CCCO4
InChI=1SC21H20F3N3O2Sc12125713(8612)161015(21(2223)24)1718(2516)27(20(30)2619(17)28)11144392914h581014H24911H21H3(H262830)
MFCD09472539
ZINC000020603765
ZINC000020603768
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