Vitas-M small molecule compound

2-(benzylsulfanyl)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione

Catalog ID
STK980702
SMILES COc1cc(cc(c1O)OC)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SCc1ccccc1

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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 C26H25N3O5S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5S/c1-33-18-11-15(12-19(34-2)23(18)31)20-21-16(9-6-10-17(21)30)27-24-22(20)25(32)29-26(28-24)35-13-14-7-4-3-5-8-14/h3-5,7-8,11-12,20,31H,6,9-10,13H2,1-2H3,(H2,27,28,29,32)
InChIKey
FYZBOMJNUKOGNF-UHFFFAOYSA-N
Synonyms

2(benzylsulfanyl)5(4hydroxy35dimethoxyphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl5(4hydroxy35dimethoxyphenyl)1578910hexahydropyrimido(45b)quinoline46dione
COC1=CC(=CC(=C1O)OC)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC5=CC=CC=C5
COc1cc(cc(c1O)OC)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SCc1ccccc1
InChI=1SC26H25N3O5Sc133181115(1219(342)23(18)31)202116(961017(21)30)272422(20)25(32)2926(2824)3513147435814h357811122031H691013H212H3(H227282932)
MFCD04066276
ZINC000100888164
ZINC000100888165

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Available files

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