Vitas-M small molecule compound

ethyl 4-[(5E)-5-[4-(dimethylamino)benzylidene]-2-hydroxy-4,6-dioxo-5,6-dihydropyrimidin-1(4H)-yl]benzoate

Catalog ID
STL038099
SMILES CCOC(=O)c1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(cc2)N(C)C)/C1=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 C22H21N3O5 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5/c1-4-30-21(28)15-7-11-17(12-8-15)25-20(27)18(19(26)23-22(25)29)13-14-5-9-16(10-6-14)24(2)3/h5-13H,4H2,1-3H3,(H,23,26,29)/b18-13+
InChIKey
USGIZGNZBYCYBD-QGOAFFKASA-N
Synonyms
313954-03-9
313954039
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)N(C)C)C(=O)NC2=O
CCOC(=O)c1ccc(cc1)N1C(=NC(=O)C(=Cc2ccc(cc2)N(C)C)C1=O)O
ethyl4((5E)5((4(dimethylamino)phenyl)methylidene)246trioxo13diazinan1yl)benzoate
ETHYL4((5E)5((4DIMETHYLAMINOPHENYL)METHYLIDENE)246TRIOXO13DIAZINAN1YL)BENZOATE
ethyl4((5E)5(4(dimethylamino)benzylidene)2hydroxy46dioxo56dihydropyrimidin1(4H)yl)benzoate
InChI=1SC22H21N3O5c143021(28)1571117(12815)2520(27)18(19(26)2322(25)29)13145916(10614)24(2)3h513H4H213H3(H232629)b1813+
MFCD03808792
ZINC000001245307
ZINC1245307

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Available files

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