Vitas-M small molecule compound
8-amino-5-(3-methylphenyl)-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
STK687798
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1cccc(c1)C)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 C27H25N5OS MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5OS/c1-14-4-2-5-16(12-14)20-17(13-28)25-30-24(29)23-21-15-8-10-31(11-9-15)26(21)34-27(23)32(25)18-6-3-7-19(33)22(18)20/h2,4-5,12,15,20H,3,6-11H2,1H3,(H2,29,30)InChIKey
LPSCPHKXMMCPBZ-UHFFFAOYSA-NSynonyms
8amino5(3methylphenyl)4oxo13451011hexahydro2H9H912ethanopyrido(3245)thieno(3256)pyrimido(12a)quinoline6carbonitrile
CC1=CC=CC(=C1)C2C(=C3N=C(C4=C(N3C5=C2C(=O)CCC5)SC6=C4C7CCN6CC7)N)C#N
InChI=1SC27H25N5OSc11442516(1214)2017(1328)253024(29)23211581031(11915)26(21)3427(23)32(25)1863719(33)22(18)20h245121520H3611H21H3(H22930)
MFCD07021796
ZINC000012462753
ZINC000012462754
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