Vitas-M small molecule compound
ethyl 6-[(4-formyl-2-methoxyphenoxy)methyl]-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL435831
SMILES CCOC(=O)C1=C(COc2ccc(cc2OC)C=O)NC(=O)NC1c1cccc(c1)[N+](=O)[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 C22H21N3O8 MW 455.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O8/c1-3-32-21(27)19-16(12-33-17-8-7-13(11-26)9-18(17)31-2)23-22(28)24-20(19)14-5-4-6-15(10-14)25(29)30/h4-11,20H,3,12H2,1-2H3,(H2,23,24,28)InChIKey
JSUDFZHKQGHYLM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(COc2ccc(cc2OC)C=O)NC(=O)NC1c1cccc(c1)(N+)(=O)(O)
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)(N+)(=O)(O))COC3=C(C=C(C=C3)C=O)OC
ethyl6((4formyl2methoxyphenoxy)methyl)4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL6((4FORMYL2METHOXYPHENOXY)METHYL)4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC22H21N3O8c133221(27)1916(1233178713(1126)918(17)312)2322(28)2420(19)1454615(1014)25(29)30h41120H312H212H3(H2232428)
MFCD06630937
ZINC000016448573
ZINC000016448575
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