Vitas-M small molecule compound

diethyl (3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)(ethyl)propanedioate

Catalog ID
STK663850
SMILES CCOC(=O)C(C1=C(Cl)C(=O)c2c(C1=O)cccc2)(C(=O)OCC)CC

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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 C19H19ClO6 MW 378.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClO6/c1-4-19(17(23)25-5-2,18(24)26-6-3)13-14(20)16(22)12-10-8-7-9-11(12)15(13)21/h7-10H,4-6H2,1-3H3
InChIKey
YUCJEEBSDJAUPY-UHFFFAOYSA-N
Synonyms

CCC(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)(C(=O)OCC)C(=O)OCC
diethyl(3chloro14dioxo14dihydronaphthalen2yl)(ethyl)propanedioate
DIETHYL2(3CHLORO14DIOXO(2NAPHTHYL))2ETHYLPROPANE13DIOATE
DIETHYL2(3CHLORO14DIOXONAPHTHALEN2YL)2ETHYLPROPANEDIOATE
InChI=1SC19H19ClO6c1419(17(23)255218(24)2663)1314(20)16(22)121087911(12)15(13)21h710H46H213H3
MFCD05856498
ZINC000004698109
ZINC04698109
ZINC4698109

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Available files

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