Vitas-M small molecule compound
5-(3-bromo-4-fluorophenyl)-8-(furan-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Catalog ID
STK335909
SMILES O=c1[nH]c2NC3=C(C(c2c(=O)[nH]1)c1ccc(c(c1)Br)F)C(=O)CC(C3)c1ccco1
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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 C21H15BrFN3O4 MW 472.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrFN3O4/c22-11-6-9(3-4-12(11)23)16-17-13(24-19-18(16)20(28)26-21(29)25-19)7-10(8-14(17)27)15-2-1-5-30-15/h1-6,10,16H,7-8H2,(H3,24,25,26,28,29)InChIKey
QIVRHMLHKLUXGZ-UHFFFAOYSA-NSynonyms
5(3bromo4fluorophenyl)8(furan2yl)1578910hexahydropyrimido(45b)quinoline246trione
5(3bromo4fluorophenyl)8(furan2yl)58910tetrahydropyrimido(45b)quinoline246(1H3H7H)trione
C1C(CC(=O)C2=C1NC3=C(C2C4=CC(=C(C=C4)F)Br)C(=O)NC(=O)N3)C5=CC=CO5
InChI=1SC21H15BrFN3O4c221169(3412(11)23)161713(241918(16)20(28)2621(29)2519)710(814(17)27)152153015h161016H78H2(H32425262829)
MFCD09964339
O=c1(nH)c2NC3=C(C(c2c(=O)(nH)1)c1ccc(c(c1)Br)F)C(=O)CC(C3)c1ccco1
ZINC000018200352
ZINC000018200357
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