Vitas-M small molecule compound
8-amino-5-(2,5-dimethylthiophen-3-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
STK688000
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1cc(sc1C)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 C26H25N5OS2 MW 487.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5OS2/c1-12-10-15(13(2)33-12)20-16(11-27)24-29-23(28)22-19-14-6-8-30(9-7-14)25(19)34-26(22)31(24)17-4-3-5-18(32)21(17)20/h10,14,20H,3-9H2,1-2H3,(H2,28,29)InChIKey
PKJHONGOPDCQMS-UHFFFAOYSA-NSynonyms
8amino5(25dimethylthiophen3yl)4oxo13451011hexahydro2H9H912ethanopyrido(3245)thieno(3256)pyrimido(12a)quinoline6carbonitrile
CC1=CC(=C(S1)C)C2C(=C3N=C(C4=C(N3C5=C2C(=O)CCC5)SC6=C4C7CCN6CC7)N)C#N
InChI=1SC26H25N5OS2c1121015(13(2)3312)2016(1127)242923(28)2219146830(9714)25(19)3426(22)31(24)1743518(32)21(17)20h101420H39H212H3(H22829)
MFCD07022669
ZINC000012445316
ZINC000012445318
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