Vitas-M small molecule compound
(5E)-3-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK854893
SMILES C#CCOc1ccc(cc1OC)/C=C/1\C(=NC(=O)N(C1=O)c1ccc2c(c1)OCO2)O
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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 C22H16N2O7 MW 420.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O7/c1-3-8-29-16-6-4-13(10-18(16)28-2)9-15-20(25)23-22(27)24(21(15)26)14-5-7-17-19(11-14)31-12-30-17/h1,4-7,9-11H,8,12H2,2H3,(H,23,25,27)/b15-9+InChIKey
ARFKSNCUNJTJQX-OQLLNIDSSA-NSynonyms
(5E)1(13BENZODIOXOL5YL)5((3METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3(13benzodioxol5yl)6hydroxy5(3methoxy4(prop2yn1yloxy)benzylidene)pyrimidine24(3H5H)dione
C#CCOc1ccc(cc1OC)C=C1C(=NC(=O)N(C1=O)c1ccc2c(c1)OCO2)O
InChI=1SC22H16N2O7c13829166413(1018(16)282)91520(25)2322(27)24(21(15)26)14571719(1114)31123017h147911H812H22H3(H232527)b159+
MFCD08732247
ZINC000008914802
ZINC8914802
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