Vitas-M small molecule compound
5-(azepan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Catalog ID
STK524711
SMILES O=C1OC(C)(C)OC(=O)C1=C1CCCCCN1
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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 C12H17NO4 MW 239.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17NO4/c1-12(2)16-10(14)9(11(15)17-12)8-6-4-3-5-7-13-8/h13H,3-7H2,1-2H3InChIKey
IBOQRIWQBFOIGL-UHFFFAOYSA-NSynonyms
70912-54-813DIOXANE46DIONE5(HEXAHYDRO2HAZEPIN2YLIDENE)22DIMETHYL
5(2AZEPANYLIDENE)22DIMETHYL13DIOXANE46DIONE
5(AZEPAN2YLIDENE)22DIMETHYL(13)DIOXANE46DIONE
5(azepan2ylidene)22dimethyl13dioxane46dione
5AZAPERHYDROEPIN2YLIDENE22DIMETHYL13DIOXANE46DIONE
5AZEPAN2YLIDENE22DIMETHYL(13)DIOXANE46DIONE
5AZEPAN2YLIDENE22DIMETHYL13DIOXANE46DIONE
70912548
CC1(OC(=O)C(=C2CCCCCN2)C(=O)O1)C
InChI=1SC12H17NO4c112(2)1610(14)9(11(15)1712)864357138h13H37H212H3
MFCD00052666
ZINC000100021843
ZINC100021843
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