Vitas-M small molecule compound
4-cyano-3,4-dideoxy-3-(3-fluorophenyl)-2-thio-1-tricyclo[3.3.1.1~3,7~]dec-1-ylpent-4-enodialdo-5,2-furanosylamine
Catalog ID
STL326237
SMILES N#CC1=C(N)SC(C1c1cccc(c1)F)C(=O)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 C22H23FN2OS MW 382.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN2OS/c23-16-3-1-2-15(7-16)18-17(11-24)21(25)27-19(18)20(26)22-8-12-4-13(9-22)6-14(5-12)10-22/h1-3,7,12-14,18-19H,4-6,8-10,25H2InChIKey
QUCGQQOMMYOSLR-UHFFFAOYSA-NSynonyms
(4S5S)5((3S5S7S)adamantane1carbonyl)2amino4(3fluorophenyl)45dihydrothiophene3carbonitrile
2(ADAMANTANE1CARBONYL)5AMINO3(3FLUOROPHENYL)23DIHYDROTHIOPHENE4CARBONITRILE
4cyano34dideoxy3(3fluorophenyl)2thio1tricyclo(3311~37~)dec1ylpent4enodialdo52furanosylamine
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(=C(S4)N)C#N)C5=CC(=CC=C5)F
InChI=1SC22H23FN2OSc231631215(716)1817(1124)21(25)2719(18)20(26)22812413(922)614(512)1022h13712141819H4681025H2
N#CC1=C(N)S(C@@H)((C@H)1c1cccc(c1)F)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000004786262
ZINC000016034562
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