Vitas-M small molecule compound
5-(5-methylfuran-2-yl)-2-thioxo-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Catalog ID
STK981108
SMILES Cc1ccc(o1)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(=S)[nH]2
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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 C16H15N3O3S MW 329.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O3S/c1-7-5-6-10(22-7)12-11-8(3-2-4-9(11)20)17-14-13(12)15(21)19-16(23)18-14/h5-6,12H,2-4H2,1H3,(H3,17,18,19,21,23)InChIKey
LLVBFVOANYJPQA-UHFFFAOYSA-NSynonyms
5(5methylfuran2yl)2sulfanylidene1578910hexahydropyrimido(45b)quinoline46dione
5(5methylfuran2yl)2thioxo2358910hexahydropyrimido(45b)quinoline46(1H7H)dione
CC1=CC=C(O1)C2C3=C(CCCC3=O)NC4=C2C(=O)NC(=S)N4
Cc1ccc(o1)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(=S)(nH)2
InChI=1SC16H15N3O3Sc175610(227)12118(3249(11)20)171413(12)15(21)1916(23)1814h5612H24H21H3(H31718192123)
MFCD18181267
ZINC000044973868
ZINC000044973873
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