Vitas-M small molecule compound

tetramethyl 2,3-dibromo-2,3-dihydro-1,4-dithiine-2,3,5,6-tetracarboxylate

Catalog ID
STK395022
SMILES COC(=O)C1=C(SC(C(S1)(Br)C(=O)OC)(Br)C(=O)OC)C(=O)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 C12H12Br2O8S2 MW 508.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12Br2O8S2/c1-19-7(15)5-6(8(16)20-2)24-12(14,10(18)22-4)11(13,23-5)9(17)21-3/h1-4H3
InChIKey
NNFVUXRTJJBEKW-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC(C(S1)(C(=O)OC)Br)(C(=O)OC)Br)C(=O)OC
InChI=1SC12H12Br2O8S2c1197(15)56(8(16)202)2412(1410(18)224)11(13235)9(17)213h14H3
METHYL23DIBROMO356TRIS(METHOXYCARBONYL)14DITHIIN2CARBOXYLATE
MFCD00498581
tetramethyl23dibromo14dithiine2356tetracarboxylate
tetramethyl23dibromo23dihydro14dithiine2356tetracarboxylate
ZINC000004065113
ZINC000015636847

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Available files

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