Vitas-M small molecule compound
diethyl butyl(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)propanedioate
Catalog ID
STK735774
SMILES CCCCC(C1=C(Cl)C(=O)c2c(C1=O)cccc2)(C(=O)OCC)C(=O)OCC
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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 C21H23ClO6 MW 406.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClO6/c1-4-7-12-21(19(25)27-5-2,20(26)28-6-3)15-16(22)18(24)14-11-9-8-10-13(14)17(15)23/h8-11H,4-7,12H2,1-3H3InChIKey
OIQGWTIQTNUBOM-UHFFFAOYSA-NSynonyms
CCCCC(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)(C(=O)OCC)C(=O)OCC
DIETHYL2BUTYL2(3CHLORO14DIOXONAPHTHALEN2YL)PROPANEDIOATE
diethylbutyl(3chloro14dioxo14dihydronaphthalen2yl)propanedioate
InChI=1SC21H23ClO6c1471221(19(25)275220(26)2863)1516(22)18(24)1411981013(14)17(15)23h811H4712H213H3
MFCD03768554
ZINC000003624945
ZINC03624945
ZINC3624945
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