Vitas-M small molecule compound
8-amino-4-oxo-5-[4-(trifluoromethyl)phenyl]-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
STK687583
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1ccc(cc1)C(F)(F)F)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 C27H22F3N5OS MW 521.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22F3N5OS/c28-27(29,30)15-6-4-13(5-7-15)19-16(12-31)24-33-23(32)22-20-14-8-10-34(11-9-14)25(20)37-26(22)35(24)17-2-1-3-18(36)21(17)19/h4-7,14,19H,1-3,8-11H2,(H2,32,33)InChIKey
ZEOGQHNGVNUOPQ-UHFFFAOYSA-NSynonyms
8amino4oxo5(4(trifluoromethyl)phenyl)13451011hexahydro2H9H912ethanopyrido(3245)thieno(3256)pyrimido(12a)quinoline6carbonitrile
C1CC2=C(C(C(=C3N2C4=C(C5=C(S4)N6CCC5CC6)C(=N3)N)C#N)C7=CC=C(C=C7)C(F)(F)F)C(=O)C1
InChI=1SC27H22F3N5OSc2827(2930)156413(5715)1916(1231)243323(32)22201481034(11914)25(20)3726(22)35(24)1721318(36)21(17)19h471419H13811H2(H23233)
MFCD06619189
ZINC000015022278
ZINC000015022280
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