Vitas-M small molecule compound
2-(butylsulfanyl)-5-(3-ethoxy-4-hydroxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980682
SMILES CCCCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(c(c1)OCC)O)C(=O)CCC3
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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 C23H27N3O4S MW 441.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O4S/c1-3-5-11-31-23-25-21-20(22(29)26-23)18(19-14(24-21)7-6-8-16(19)28)13-9-10-15(27)17(12-13)30-4-2/h9-10,12,18,27H,3-8,11H2,1-2H3,(H2,24,25,26,29)InChIKey
GGRDVUNZAOPSMA-UHFFFAOYSA-NSynonyms
628278-52-42(butylsulfanyl)5(3ethoxy4hydroxyphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2butylsulfanyl5(3ethoxy4hydroxyphenyl)1578910hexahydropyrimido(45b)quinoline46dione
628278524
CCCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=C(C=C4)O)OCC)C(=O)CCC3
CCCCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(c(c1)OCC)O)C(=O)CCC3
InChI=1SC23H27N3O4Sc135113123252120(22(29)2623)18(1914(2421)76816(19)28)1391015(27)17(1213)3042h910121827H3811H212H3(H224252629)
MFCD04443982
ZINC000009494383
ZINC000009494387
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