Vitas-M small molecule compound

Catalog ID
STK674112
SMILES O=C1[C@@H]2OC[C@@H](O2)[C@@H]2[C@H]1C2C(=O)c1ccc(cc1)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 C14H11BrO4 MW 323.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11BrO4/c15-7-3-1-6(2-4-7)12(16)10-9-8-5-18-14(19-8)13(17)11(9)10/h1-4,8-11,14H,5H2/t8-,9+,10?,11+,14-/m1/s1
InChIKey
PGHKUIMAONOIHP-GOALFRKDSA-N
Synonyms

C1C2C3C(C3C(=O)C4=CC=C(C=C4)Br)C(=O)C(O1)O2
InChI=1SC14H11BrO4c157316(247)12(16)109851814(198)13(17)11(9)10h1481114H5H2t89+10?11+14m1s1
O=C1(C@@H)2OC(C@@H)(O2)(C@@H)2(C@H)1C2C(=O)c1ccc(cc1)Br
ZINC000006646137
ZINC000015163368

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Available files

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