Vitas-M small molecule compound

methyl (3-{(E)-[1-(3,4-dimethylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate

Catalog ID
STK623334
SMILES COC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(c(c1)C)C)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 C24H21N3O5 MW 431.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O5/c1-14-8-9-17(10-15(14)2)27-23(30)19(22(29)25-24(27)31)11-16-12-26(13-21(28)32-3)20-7-5-4-6-18(16)20/h4-12H,13H2,1-3H3,(H,25,29,31)/b19-11+
InChIKey
RNKGTSWPAGDGII-YBFXNURJSA-N
Synonyms

COC(=O)Cn1cc(c2c1cccc2)C=C1C(=NC(=O)N(C1=O)c1ccc(c(c1)C)C)O
InChI=1SC24H21N3O5c1148917(1015(14)2)2723(30)19(22(29)2524(27)31)11161226(1321(28)323)20754618(16)20h412H13H213H3(H252931)b1911+
methyl(3((E)(1(34dimethylphenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)1Hindol1yl)acetate
METHYL2(3((E)(1(34DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)ACETATE
MFCD09789644
ZINC000015768768
ZINC15768768

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Available files

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