Vitas-M small molecule compound

5-(3-bromo-4-hydroxy-5-methoxybenzylidene)-1,3-bis(4-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STL484665
SMILES COc1cc(/C=C/2\C(=O)N(c3ccc(cc3)C)C(=S)N(C2=O)c2ccc(cc2)C)cc(c1O)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 C26H21BrN2O4S MW 537.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN2O4S/c1-15-4-8-18(9-5-15)28-24(31)20(12-17-13-21(27)23(30)22(14-17)33-3)25(32)29(26(28)34)19-10-6-16(2)7-11-19/h4-14,30H,1-3H3
InChIKey
CRFFFNIOKKWYLE-UHFFFAOYSA-N
Synonyms

5((3BROMO4HYDROXY5METHOXYPHENYL)METHYLIDENE)13BIS(4METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
5(3BROMO4HYDROXY5METHOXYBENZYLIDENE)13BIS(4METHYLPHENYL)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
5(3bromo4hydroxy5methoxybenzylidene)13bis(4methylphenyl)2thioxodihydropyrimidine46(1H5H)dione
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)OC)C(=O)N(C2=S)C4=CC=C(C=C4)C
COc1cc(C=C2C(=O)N(c3ccc(cc3)C)C(=S)N(C2=O)c2ccc(cc2)C)cc(c1O)Br
InChI=1SC26H21BrN2O4Sc1154818(9515)2824(31)20(12171321(27)23(30)22(1417)333)25(32)29(26(28)34)1910616(2)71119h41430H13H3
MFCD01442553
ZINC000000653758
ZINC00653758
ZINC653758

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Available files

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