Vitas-M small molecule compound
(5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-3-(2,5-dimethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK568884
SMILES COc1ccc(c(c1)N1C(=O)N=C(/C(=C/NCc2ccc3c(c2)OCO3)/C1=O)O)OC
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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 C21H19N3O7 MW 425.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O7/c1-28-13-4-6-16(29-2)15(8-13)24-20(26)14(19(25)23-21(24)27)10-22-9-12-3-5-17-18(7-12)31-11-30-17/h3-8,10,22H,9,11H2,1-2H3,(H,23,25,27)/b14-10-InChIKey
JBIDNQWJUCBULC-UVTDQMKNSA-NSynonyms
(5Z)5(((13benzodioxol5ylmethyl)amino)methylidene)3(25dimethoxyphenyl)6hydroxypyrimidine24(3H5H)dione
(5Z)5((13BENZODIOXOL5YLMETHYLAMINO)METHYLIDENE)1(25DIMETHOXYPHENYL)13DIAZINANE246TRIONE
COC1=CC(=C(C=C1)OC)N2C(=O)C(=CNCC3=CC4=C(C=C3)OCO4)C(=O)NC2=O
COc1ccc(c(c1)N1C(=O)N=C(C(=CNCc2ccc3c(c2)OCO3)C1=O)O)OC
InChI=1SC21H19N3O7c128134616(292)15(813)2420(26)14(19(25)2321(24)27)1022912351718(712)31113017h381022H911H212H3(H232527)b1410
MFCD05725901
ZINC000002393464
ZINC2393464
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