Vitas-M small molecule compound

methyl 1-chloro-3-dodecanoyl-2,4-dioxocyclohexanecarboxylate

Catalog ID
STL325710
SMILES CCCCCCCCCCCC(=O)C1C(=O)CCC(C1=O)(Cl)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 C20H31ClO5 MW 386.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31ClO5/c1-3-4-5-6-7-8-9-10-11-12-15(22)17-16(23)13-14-20(21,18(17)24)19(25)26-2/h17H,3-14H2,1-2H3
InChIKey
RWCAQFKEUFLKTP-UHFFFAOYSA-N
Synonyms
372082-75-2
372082752
CCCCCCCCCCCC(=O)C1C(=O)CCC(C1=O)(C(=O)OC)Cl
InChI=1SC20H31ClO5c1345678910111215(22)1716(23)131420(2118(17)24)19(25)262h17H314H212H3
methyl1chloro3dodecanoyl24dioxocyclohexane1carboxylate
methyl1chloro3dodecanoyl24dioxocyclohexanecarboxylate
MFCD00513073
ZINC000100705354
ZINC000100705362

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Available files

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