Vitas-M small molecule compound

5-(3-bromo-4-{2-[4-(butan-2-yl)phenoxy]ethoxy}-5-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK090864
SMILES COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccc(cc1)C(CC)C)Br

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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 C24H25BrN2O5S MW 533.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25BrN2O5S/c1-4-14(2)16-5-7-17(8-6-16)31-9-10-32-21-19(25)12-15(13-20(21)30-3)11-18-22(28)26-24(33)27-23(18)29/h5-8,11-14H,4,9-10H2,1-3H3,(H2,26,27,28,29,33)
InChIKey
XXNLWEHLIIGWOC-UHFFFAOYSA-N
Synonyms

5((3BROMO4(2(4BUTAN2YLPHENOXY)ETHOXY)5METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5((3BROMO5METHOXY4(2(4(METHYLPROPYL)PHENOXY)ETHOXY)PHENYL)METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
5(3BROMO4(2(4(BUTAN2YL)PHENOXY)ETHOXY)5METHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCC(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Br)C=C3C(=O)NC(=S)NC3=O)OC
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccc(cc1)C(CC)C)Br
InChI=1SC24H25BrN2O5Sc1414(2)165717(8616)31910322119(25)1215(1320(21)303)111822(28)2624(33)2723(18)29h581114H4910H213H3(H22627282933)
MFCD02017704
STK090864
ZINC000100259182
ZINC000100259186

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Available files

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