Vitas-M small molecule compound

methyl 4-[(5E)-5-[3,4-dimethoxy-5-(prop-2-en-1-yl)benzylidene]-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzoate

Catalog ID
STL494973
SMILES C=CCc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)C(=O)OC)cc(c1OC)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 C24H22N2O7 MW 450.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O7/c1-5-6-16-11-14(13-19(31-2)20(16)32-3)12-18-21(27)25-24(30)26(22(18)28)17-9-7-15(8-10-17)23(29)33-4/h5,7-13H,1,6H2,2-4H3,(H,25,27,30)/b18-12+
InChIKey
ZACUHOKMDXDTIW-LDADJPATSA-N
Synonyms

C=CCc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C(=O)OC)cc(c1OC)OC
COC1=CC(=CC(=C1OC)CC=C)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC
InChI=1SC24H22N2O7c156161114(1319(312)20(16)323)121821(27)2524(30)26(22(18)28)179715(81017)23(29)334h5713H16H224H3(H252730)b1812+
METHYL4((5E)5((34DIMETHOXY5PROP2ENYLPHENYL)METHYLIDENE)246TRIOXO13DIAZINAN1YL)BENZOATE
methyl4((5E)5(34dimethoxy5(prop2en1yl)benzylidene)246trioxotetrahydropyrimidin1(2H)yl)benzoate
MFCD03993759
ZINC000002827277
ZINC02827277
ZINC2827277

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Available files

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