Vitas-M small molecule compound
5-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Catalog ID
STL022473
SMILES O=c1[nH]c2NC3=C(C(c2c(=O)[nH]1)c1ccc(o1)c1nc2c(s1)cccc2)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 C22H16N4O4S MW 432.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O4S/c27-12-6-3-5-11-16(12)17(18-19(23-11)25-22(29)26-20(18)28)13-8-9-14(30-13)21-24-10-4-1-2-7-15(10)31-21/h1-2,4,7-9,17H,3,5-6H2,(H3,23,25,26,28,29)InChIKey
YEQDANLNZBGUIH-UHFFFAOYSA-NSynonyms
853744-92-05(5(13benzothiazol2yl)furan2yl)1578910hexahydropyrimido(45b)quinoline246trione
5(5(13benzothiazol2yl)furan2yl)58910tetrahydropyrimido(45b)quinoline246(1H3H7H)trione
853744920
C1CC2=C(C(C3=C(N2)NC(=O)NC3=O)C4=CC=C(O4)C5=NC6=CC=CC=C6S5)C(=O)C1
InChI=1SC22H16N4O4Sc27126351116(12)17(1819(2311)2522(29)2620(18)28)138914(3013)212410412715(10)3121h1247917H356H2(H32325262829)
MFCD06651551
O=c1(nH)c2NC3=C(C(c2c(=O)(nH)1)c1ccc(o1)c1nc2c(s1)cccc2)C(=O)CCC3
ZINC000009910253
ZINC000009910255
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