Vitas-M small molecule compound

5-[4-(dimethylamino)benzylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Catalog ID
STL436400
SMILES O=C1OC(C)(C)OC(=O)C1=Cc1ccc(cc1)N(C)C

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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 C15H17NO4 MW 275.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17NO4/c1-15(2)19-13(17)12(14(18)20-15)9-10-5-7-11(8-6-10)16(3)4/h5-9H,1-4H3
InChIKey
AKJKGSPZKUCMLG-UHFFFAOYSA-N
Synonyms
15795-57-0
13DIOXANE46DIONE22DIMETHYL5(4(DIMETHYLAMINO)BENZYLIDENE)
13DIOXANE46DIONE5((4(DIMETHYLAMINO)PHENYL)METHYLENE)22DIMETHYL
15795570
2(4(DIMETHYLAMINO)BENZYLIDENE)MALONICACIDISOPROPYLIDENEESTER
5((4(DIMETHYLAMINO)PHENYL)METHYLIDENE)22DIMETHYL13DIOXANE46DIONE
5((4DIMETHYLAMINOPHENYL)METHYLENE)22DIMETHYL13DIOXANE46DIONE
5((4DIMETHYLAMINOPHENYL)METHYLIDENE)22DIMETHYL13DIOXANE46DIONE
5(4(dimethylamino)benzylidene)22dimethyl13dioxane46dione
5(4(DIMETHYLAMINO)BENZYLIDENE)22DIMETHYL13DIOXANE46QUINONE
5(4DIMETHYLAMINOBENZYLIDENE)22DIMETHYL(13)DIOXANE46DIONE
CC1(OC(=O)C(=CC2=CC=C(C=C2)N(C)C)C(=O)O1)C
InChI=1SC15H17NO4c115(2)1913(17)12(14(18)2015)9105711(8610)16(3)4h59H14H3
MALOICACID(P(DIMETHYLAMINO)BENZILIDENE)CYCLICISOPROPYLIDENEESTER
MFCD00106878
ZINC000000119001
ZINC00119001
ZINC119001

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Available files

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