Vitas-M small molecule compound
(5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL051715
SMILES CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/NCc1ccc2c(c1)OCO2
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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 C22H21N3O6 MW 423.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O6/c1-3-16(23-11-13-4-9-17-18(10-13)31-12-30-17)19-20(26)24-22(28)25(21(19)27)14-5-7-15(29-2)8-6-14/h4-10,23H,3,11-12H2,1-2H3,(H,24,26,28)/b19-16+InChIKey
MYBXTHPDKLSWDR-KNTRCKAVSA-NSynonyms
(5E)5(1((13benzodioxol5ylmethyl)amino)propylidene)6hydroxy3(4methoxyphenyl)pyrimidine24(3H5H)dione
(5E)5(1(13benzodioxol5ylmethylamino)propylidene)1(4methoxyphenyl)13diazinane246trione
CCC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)NCc1ccc2c(c1)OCO2
CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)NCC3=CC4=C(C=C3)OCO4
InChI=1SC22H21N3O6c1316(231113491718(1013)31123017)1920(26)2422(28)25(21(19)27)145715(292)8614h41023H31112H212H3(H242628)b1916+
MFCD05732505
ZINC000001271418
ZINC01271418
ZINC1271418
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