Vitas-M small molecule compound

2-(butan-2-ylsulfanyl)-5-(4-methoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione

Catalog ID
STK918712
SMILES CCC(Sc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)OC)C(=O)CCC3)C

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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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-4-12(2)29-22-24-20-19(21(27)25-22)17(13-8-10-14(28-3)11-9-13)18-15(23-20)6-5-7-16(18)26/h8-12,17H,4-7H2,1-3H3,(H2,23,24,25,27)
InChIKey
SEXPIJVLDMLQSS-UHFFFAOYSA-N
Synonyms
631853-72-0
2(butan2ylsulfanyl)5(4methoxyphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2butan2ylsulfanyl5(4methoxyphenyl)1578910hexahydropyrimido(45b)quinoline46dione
631853720
CCC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=C(C=C4)OC)C(=O)CCC3
CCC(Sc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)OC)C(=O)CCC3)C
InChI=1SC22H25N3O3Sc1412(2)2922242019(21(27)2522)17(1381014(283)11913)1815(2320)65716(18)26h81217H47H213H3(H223242527)
MFCD04443973
ZINC000006003391
ZINC000006005330

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Available files

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