Vitas-M small molecule compound
1-(butan-2-yl)-5-(difluoromethyl)-2-sulfanyl-7-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179202
SMILES CCC(n1c(S)nc(=O)c2c1nc(cc2C(F)F)C12CC3CC(C2)CC(C1)C3)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 C22H27F2N3OS MW 419.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27F2N3OS/c1-3-11(2)27-19-17(20(28)26-21(27)29)15(18(23)24)7-16(25-19)22-8-12-4-13(9-22)6-14(5-12)10-22/h7,11-14,18H,3-6,8-10H2,1-2H3,(H,26,28,29)InChIKey
CCTHOLXMAPSESH-UHFFFAOYSA-NSynonyms
1011382-96-91(butan2yl)5(difluoromethyl)2sulfanyl7(tricyclo(3311~37~)dec1yl)pyrido(23d)pyrimidin4(1H)one
1011382969
7(1adamantyl)1butan2yl5(difluoromethyl)2sulfanylidenepyrido(23d)pyrimidin4one
CCC(C)N1C2=C(C(=CC(=N2)C34CC5CC(C3)CC(C5)C4)C(F)F)C(=O)NC1=S
InChI=1SC22H27F2N3OSc1311(2)271917(20(28)2621(27)29)15(18(23)24)716(2519)22812413(922)614(512)1022h7111418H36810H212H3(H262829)
ZINC000020615129
ZINC000020615130
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