Vitas-M small molecule compound
8-amino-5-(1,3-benzodioxol-5-yl)-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
STK687590
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1ccc4c(c1)OCO4)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 C27H23N5O3S MW 497.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O3S/c28-11-15-20(14-4-5-18-19(10-14)35-12-34-18)22-16(2-1-3-17(22)33)32-25(15)30-24(29)23-21-13-6-8-31(9-7-13)26(21)36-27(23)32/h4-5,10,13,20H,1-3,6-9,12H2,(H2,29,30)InChIKey
KEKNFPLQSVCXTL-UHFFFAOYSA-NSynonyms
8amino5(13benzodioxol5yl)4oxo13451011hexahydro2H9H912ethanopyrido(3245)thieno(3256)pyrimido(12a)quinoline6carbonitrile
C1CC2=C(C(C(=C3N2C4=C(C5=C(S4)N6CCC5CC6)C(=N3)N)C#N)C7=CC8=C(C=C7)OCO8)C(=O)C1
InChI=1SC27H23N5O3Sc28111520(14451819(1014)35123418)2216(21317(22)33)3225(15)3024(29)2321136831(9713)26(21)3627(23)32h45101320H136912H2(H22930)
MFCD06619227
ZINC000012375078
ZINC000012375079
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