Vitas-M small molecule compound
8-amino-5-(5-bromo-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
STK687562
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1cc(Br)ccc1F)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 C26H21BrFN5OS MW 550.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrFN5OS/c27-13-4-5-16(28)14(10-13)20-15(11-29)24-31-23(30)22-19-12-6-8-32(9-7-12)25(19)35-26(22)33(24)17-2-1-3-18(34)21(17)20/h4-5,10,12,20H,1-3,6-9H2,(H2,30,31)InChIKey
PWICPFBBYFJJKP-UHFFFAOYSA-NSynonyms
8amino5(5bromo2fluorophenyl)4oxo13451011hexahydro2H9H912ethanopyrido(3245)thieno(3256)pyrimido(12a)quinoline6carbonitrile
C1CC2=C(C(C(=C3N2C4=C(C5=C(S4)N6CCC5CC6)C(=N3)N)C#N)C7=C(C=CC(=C7)Br)F)C(=O)C1
InChI=1SC26H21BrFN5OSc27134516(28)14(1013)2015(1129)243123(30)2219126832(9712)25(19)3526(22)33(24)1721318(34)21(17)20h45101220H1369H2(H23031)
MFCD06619138
ZINC000100210198
ZINC000100210200
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