Vitas-M small molecule compound
8-amino-4-oxo-5-(pyridin-3-yl)-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
STK687115
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1cccnc1)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 C25H22N6OS MW 454.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6OS/c26-11-15-18(14-3-2-8-28-12-14)20-16(4-1-5-17(20)32)31-23(15)29-22(27)21-19-13-6-9-30(10-7-13)24(19)33-25(21)31/h2-3,8,12-13,18H,1,4-7,9-10H2,(H2,27,29)InChIKey
WDKGCLHMEQWAPE-UHFFFAOYSA-NSynonyms
8amino4oxo5(pyridin3yl)13451011hexahydro2H9H912ethanopyrido(3245)thieno(3256)pyrimido(12a)quinoline6carbonitrile
C1CC2=C(C(C(=C3N2C4=C(C5=C(S4)N6CCC5CC6)C(=N3)N)C#N)C7=CN=CC=C7)C(=O)C1
InChI=1SC25H22N6OSc26111518(14328281214)2016(41517(20)32)3123(15)2922(27)2119136930(10713)24(19)3325(21)31h238121318H147910H2(H22729)
MFCD06617462
ZINC000012374805
ZINC000012374806
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