Vitas-M small molecule compound
1-ethyl-2-sulfanyl-7-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179690
SMILES CCn1c(S)nc(=O)c2c1nc(cc2C(F)(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 C20H22F3N3OS MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22F3N3OS/c1-2-26-16-15(17(27)25-18(26)28)13(20(21,22)23)6-14(24-16)19-7-10-3-11(8-19)5-12(4-10)9-19/h6,10-12H,2-5,7-9H2,1H3,(H,25,27,28)InChIKey
CMJMIDYBMKXVMI-UHFFFAOYSA-NSynonyms
1011376-90-11011376901
1ethyl2sulfanyl7(tricyclo(3311~37~)dec1yl)5(trifluoromethyl)pyrido(23d)pyrimidin4(1H)one
7(1adamantyl)1ethyl2sulfanylidene5(trifluoromethyl)pyrido(23d)pyrimidin4one
CCN1C2=C(C(=CC(=N2)C34CC5CC(C3)CC(C5)C4)C(F)(F)F)C(=O)NC1=S
InChI=1SC20H22F3N3OSc12261615(17(27)2518(26)28)13(20(2122)23)614(2416)19710311(819)512(410)919h61012H2579H21H3(H252728)
ZINC000020605662
ZINC20605662
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