Vitas-M small molecule compound

4-[(5Z)-5-[4-(dimethylamino)benzylidene]-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzoic acid

Catalog ID
STK678172
SMILES CN(c1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(=O)O)C

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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 C20H17N3O5 MW 379.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5/c1-22(2)14-7-3-12(4-8-14)11-16-17(24)21-20(28)23(18(16)25)15-9-5-13(6-10-15)19(26)27/h3-11H,1-2H3,(H,26,27)(H,21,24,28)/b16-11-
InChIKey
COLMXPPNIQTSDI-WJDWOHSUSA-N
Synonyms

4((5Z)5((4(dimethylamino)phenyl)methylidene)246trioxo13diazinan1yl)benzoicacid
4((5Z)5((4DIMETHYLAMINOPHENYL)METHYLIDENE)246TRIOXO13DIAZINAN1YL)BENZOICACID
4((5Z)5(4(dimethylamino)benzylidene)246trioxotetrahydropyrimidin1(2H)yl)benzoicacid
CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O
CN(c1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(=O)O)C
InChI=1SC20H17N3O5c122(2)147312(4814)111617(24)2120(28)23(18(16)25)159513(61015)19(26)27h311H12H3(H2627)(H212428)b1611
MFCD03036643
ZINC000012414027
ZINC12414027

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Available files

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