Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Catalog ID
STK981088
SMILES O=c1[nH]c2NC3=C(C(c2c(=O)[nH]1)c1ccc2c(c1)OCO2)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 C18H15N3O5 MW 353.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O5/c22-10-3-1-2-9-14(10)13(8-4-5-11-12(6-8)26-7-25-11)15-16(19-9)20-18(24)21-17(15)23/h4-6,13H,1-3,7H2,(H3,19,20,21,23,24)InChIKey
YHMUEOQIHAUSER-UHFFFAOYSA-NSynonyms
5(13benzodioxol5yl)1578910hexahydropyrimido(45b)quinoline246trione
5(13benzodioxol5yl)58910tetrahydropyrimido(45b)quinoline246(1H3H7H)trione
C1CC2=C(C(C3=C(N2)NC(=O)NC3=O)C4=CC5=C(C=C4)OCO5)C(=O)C1
InChI=1SC18H15N3O5c2210312914(10)13(8451112(68)2672511)1516(199)2018(24)2117(15)23h4613H137H2(H31920212324)
MFCD02730889
O=c1(nH)c2NC3=C(C(c2c(=O)(nH)1)c1ccc2c(c1)OCO2)C(=O)CCC3
ZINC000000921385
ZINC000000921387
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