Vitas-M small molecule compound
5-(difluoromethyl)-1-(2-ethoxyphenyl)-2-sulfanyl-7-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179229
SMILES CCOc1ccccc1n1c(S)nc(=O)c2c1nc(cc2C(F)F)C12CC3CC(C2)CC(C1)C3
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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 C26H27F2N3O2S MW 483.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27F2N3O2S/c1-2-33-19-6-4-3-5-18(19)31-23-21(24(32)30-25(31)34)17(22(27)28)10-20(29-23)26-11-14-7-15(12-26)9-16(8-14)13-26/h3-6,10,14-16,22H,2,7-9,11-13H2,1H3,(H,30,32,34)InChIKey
PCTNUTBPBIDXBI-UHFFFAOYSA-NSynonyms
1011385-11-71011385117
5(difluoromethyl)1(2ethoxyphenyl)2sulfanyl7(tricyclo(3311~37~)dec1yl)pyrido(23d)pyrimidin4(1H)one
7(1adamantyl)5(difluoromethyl)1(2ethoxyphenyl)2sulfanylidenepyrido(23d)pyrimidin4one
CCOC1=CC=CC=C1N2C3=C(C(=CC(=N3)C45CC6CC(C4)CC(C6)C5)C(F)F)C(=O)NC2=S
InChI=1SC26H27F2N3O2Sc123319643518(19)312321(24(32)3025(31)34)17(22(27)28)1020(2923)261114715(1226)916(814)1326h3610141622H2791113H21H3(H303234)
ZINC000020615153
ZINC20615153
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