Vitas-M small molecule compound
2-(propan-2-ylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918636
SMILES COc1cc(cc(c1OC)OC)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SC(C)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 C23H27N3O5S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O5S/c1-11(2)32-23-25-21-19(22(28)26-23)17(18-13(24-21)7-6-8-14(18)27)12-9-15(29-3)20(31-5)16(10-12)30-4/h9-11,17H,6-8H2,1-5H3,(H2,24,25,26,28)InChIKey
XDBRGIVDWIHGMT-UHFFFAOYSA-NSynonyms
7062-26-22(propan2ylsulfanyl)5(345trimethoxyphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2propan2ylsulfanyl5(345trimethoxyphenyl)1578910hexahydropyrimido(45b)quinoline46dione
7062262
CC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=C(C(=C4)OC)OC)OC)C(=O)CCC3
COc1cc(cc(c1OC)OC)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SC(C)C
InChI=1SC23H27N3O5Sc111(2)3223252119(22(28)2623)17(1813(2421)76814(18)27)12915(293)20(315)16(1012)304h91117H68H215H3(H224252628)
MFCD04443932
ZINC000017113586
ZINC000017113588
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