Vitas-M small molecule compound

5-(2-bromobenzylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK187302
SMILES S=C1N(C)C(=O)C(=Cc2ccccc2Br)C(=O)N1C

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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 C13H11BrN2O2S MW 339.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11BrN2O2S/c1-15-11(17)9(12(18)16(2)13(15)19)7-8-5-3-4-6-10(8)14/h3-7H,1-2H3
InChIKey
HVPBOBVCXPNGKN-UHFFFAOYSA-N
Synonyms

5((2BROMOPHENYL)METHYLENE)13DIMETHYL2THIOXO13DIHYDROPYRIMIDINE46DIONE
5((2BROMOPHENYL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5(2BROMOBENZYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CN1C(=O)C(=CC2=CC=CC=C2Br)C(=O)N(C1=S)C
InChI=1SC13H11BrN2O2Sc11511(17)9(12(18)16(2)13(15)19)78534610(8)14h37H12H3
MFCD02779433
ZINC000003771652
ZINC03771652
ZINC3771652

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.