Vitas-M small molecule compound
5-{4-[benzyl(ethyl)amino]phenyl}-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980650
SMILES CCN(c1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SC)Cc1ccccc1
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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 C27H28N4O2S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2S/c1-3-31(16-17-8-5-4-6-9-17)19-14-12-18(13-15-19)22-23-20(10-7-11-21(23)32)28-25-24(22)26(33)30-27(29-25)34-2/h4-6,8-9,12-15,22H,3,7,10-11,16H2,1-2H3,(H2,28,29,30,33)InChIKey
RWHVPEYCOFENNS-UHFFFAOYSA-NSynonyms
5(4(benzyl(ethyl)amino)phenyl)2(methylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(4(benzyl(ethyl)amino)phenyl)2methylsulfanyl1578910hexahydropyrimido(45b)quinoline46dione
CCN(c1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SC)Cc1ccccc1
CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C3C4=C(CCCC4=O)NC5=C3C(=O)N=C(N5)SC
InChI=1SC27H28N4O2Sc1331(16178546917)19141218(131519)222320(1071121(23)32)282524(22)26(33)3027(2925)342h4689121522H37101116H212H3(H228293033)
MFCD18181225
ZINC000044973468
ZINC000044973473
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