Vitas-M small molecule compound
8-amino-5-(4-fluorophenyl)-4-oxo-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Catalog ID
STK761298
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1ccc(cc1)F)C(=O)CCC2)sc1c3CCCCC1
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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 C26H23FN4OS MW 458.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN4OS/c27-15-11-9-14(10-12-15)21-17(13-28)25-30-24(29)22-16-5-2-1-3-8-20(16)33-26(22)31(25)18-6-4-7-19(32)23(18)21/h9-12,21H,1-8H2,(H2,29,30)InChIKey
UANIKLCMRUTTNY-UHFFFAOYSA-NSynonyms
8amino5(4fluorophenyl)4oxo134510111213octahydro2H9Hcyclohepta(45)thieno(3256)pyrimido(12a)quinoline6carbonitrile
C1CCC2=C(CC1)SC3=C2C(=NC4=C(C(C5=C(N43)CCCC5=O)C6=CC=C(C=C6)F)C#N)N
InChI=1SC26H23FN4OSc271511914(101215)2117(1328)253024(29)22165213820(16)3326(22)31(25)1864719(32)23(18)21h91221H18H2(H22930)
MFCD01821010
ZINC000000708337
ZINC000000708338
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