Vitas-M small molecule compound
8-amino-5-(2-fluorophenyl)-4-oxo-1,3,4,5,10,11-hexahydro-2H,9H-9,12-ethanopyrido[3'',2'':4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Catalog ID
STK687094
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1ccccc1F)C(=O)CCC2)sc1c3C2CCN1CC2
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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 C26H22FN5OS MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FN5OS/c27-16-5-2-1-4-14(16)20-15(12-28)24-30-23(29)22-19-13-8-10-31(11-9-13)25(19)34-26(22)32(24)17-6-3-7-18(33)21(17)20/h1-2,4-5,13,20H,3,6-11H2,(H2,29,30)InChIKey
SHOUOFBVBGYTHW-UHFFFAOYSA-NSynonyms
8amino5(2fluorophenyl)4oxo13451011hexahydro2H9H912ethanopyrido(3245)thieno(3256)pyrimido(12a)quinoline6carbonitrile
C1CC2=C(C(C(=C3N2C4=C(C5=C(S4)N6CCC5CC6)C(=N3)N)C#N)C7=CC=CC=C7F)C(=O)C1
InChI=1SC26H22FN5OSc2716521414(16)2015(1228)243023(29)22191381031(11913)25(19)3426(22)32(24)1763718(33)21(17)20h12451320H3611H2(H22930)
MFCD06617402
ZINC000012375415
ZINC000012375416
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