Vitas-M small molecule compound

8-amino-5-(3-bromophenyl)-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
STK687572
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1cccc(c1)Br)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 C26H22BrN5OS MW 532.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrN5OS/c27-15-4-1-3-14(11-15)19-16(12-28)24-30-23(29)22-20-13-7-9-31(10-8-13)25(20)34-26(22)32(24)17-5-2-6-18(33)21(17)19/h1,3-4,11,13,19H,2,5-10H2,(H2,29,30)
InChIKey
CNHNLVCUAKLTHN-UHFFFAOYSA-N
Synonyms

8amino5(3bromophenyl)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=C7)Br)C(=O)C1
InChI=1SC26H22BrN5OSc271541314(1115)1916(1228)243023(29)2220137931(10813)25(20)3426(22)32(24)1752618(33)21(17)19h134111319H2510H2(H22930)
MFCD06619152
ZINC000100210250
ZINC000100210255

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Available files

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