Vitas-M small molecule compound
(5E)-1-(1,3-benzodioxol-5-yl)-5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK219693
SMILES CN(c1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2)C
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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 C24H20N4O5 MW 444.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O5/c1-26(2)15-5-7-16(8-6-15)27-11-3-4-17(27)12-19-22(29)25-24(31)28(23(19)30)18-9-10-20-21(13-18)33-14-32-20/h3-13H,14H2,1-2H3,(H,25,29,31)/b19-12+InChIKey
KWKALCWGVFZIDU-XDHOZWIPSA-NSynonyms
(5E)1(13BENZODIOXOL5YL)5((1(4(DIMETHYLAMINO)PHENYL)1HPYRROL2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5E)1(13benzodioxol5yl)5((1(4(dimethylamino)phenyl)pyrrol2yl)methylidene)13diazinane246trione
CN(C)C1=CC=C(C=C1)N2C=CC=C2C=C3C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5
CN(c1ccc(cc1)n1cccc1C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2)C
InChI=1SC24H20N4O5c126(2)155716(8615)27113417(27)121922(29)2524(31)28(23(19)30)189102021(1318)33143220h313H14H212H3(H252931)b1912+
MFCD03059598
ZINC000009265670
ZINC09265670
ZINC9265670
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