Vitas-M small molecule compound
8-amino-5-(4-hydroxy-3-methoxyphenyl)-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
STK687801
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1ccc(c(c1)OC)O)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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-35-19-11-14(5-6-17(19)33)20-15(12-28)25-30-24(29)23-21-13-7-9-31(10-8-13)26(21)36-27(23)32(25)16-3-2-4-18(34)22(16)20/h5-6,11,13,20,33H,2-4,7-10H2,1H3,(H2,29,30)InChIKey
CTWWVGUQSQPGSM-UHFFFAOYSA-NSynonyms
8amino5(4hydroxy3methoxyphenyl)4oxo13451011hexahydro2H9H912ethanopyrido(3245)thieno(3256)pyrimido(12a)quinoline6carbonitrile
COC1=C(C=CC(=C1)C2C(=C3N=C(C4=C(N3C5=C2C(=O)CCC5)SC6=C4C7CCN6CC7)N)C#N)O
InChI=1SC27H25N5O3Sc135191114(5617(19)33)2015(1228)253024(29)2321137931(10813)26(21)3627(23)32(25)1632418(34)22(16)20h5611132033H24710H21H3(H22930)
MFCD07021799
ZINC000012419033
ZINC000012419036
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