Vitas-M small molecule compound

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

Catalog ID
STK097902
SMILES COc1cc(C=C2C(=O)NC(=S)NC2=O)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 C12H9BrN2O4S MW 357.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9BrN2O4S/c1-19-8-4-5(3-7(13)9(8)16)2-6-10(17)14-12(20)15-11(6)18/h2-4,16H,1H3,(H2,14,15,17,18,20)
InChIKey
HWEFBZMQNLNSMC-UHFFFAOYSA-N
Synonyms

5((3BROMO4HYDROXY5METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3BROMO4HYDROXY5METHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Br)O
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1O)Br
InChI=1SC12H9BrN2O4Sc119845(37(13)9(8)16)2610(17)1412(20)1511(6)18h2416H1H3(H21415171820)
MFCD01018321
STK097902
ZINC000001220145
ZINC01220145
ZINC1220145

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Available files

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