Vitas-M small molecule compound
5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Catalog ID
STK753291
SMILES O=C1OC(C)(C)OC(=O)C1=C/C=C/c1ccco1
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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 C13H12O5 MW 248.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12O5/c1-13(2)17-11(14)10(12(15)18-13)7-3-5-9-6-4-8-16-9/h3-8H,1-2H3/b5-3+InChIKey
ACOXJIJEMCZUIA-HWKANZROSA-NSynonyms
5((2E)3(furan2yl)prop2en1ylidene)22dimethyl13dioxane46dione
5((E)3(FURAN2YL)PROP2ENYLIDENE)22DIMETHYL13DIOXANE46DIONE
CC1(OC(=O)C(=CC=CC2=CC=CO2)C(=O)O1)C
InChI=1SC13H12O5c113(2)1711(14)10(12(15)1813)7359648169h38H12H3b53+
MFCD00541906
O=C1OC(C)(C)OC(=O)C1=CC=Cc1ccco1
ZINC000000062050
ZINC00062050
ZINC62050
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