Vitas-M small molecule compound

5,5-dimethyl-2-[(prop-2-en-1-ylamino)methylidene]cyclohexane-1,3-dione

Catalog ID
STK730767
SMILES C=CCNC=C1C(=O)CC(CC1=O)(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 C12H17NO2 MW 207.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17NO2/c1-4-5-13-8-9-10(14)6-12(2,3)7-11(9)15/h4,8,13H,1,5-7H2,2-3H3
InChIKey
WXNQSFGTGMBZLK-UHFFFAOYSA-N
Synonyms
104926-37-6
104926376
2((ALLYLAMINO)METHYLENE)55DIMETHYL13CYCLOHEXANEDIONE
2((allylamino)methylene)55dimethylcyclohexane13dione
55DIMETHYL2((PROP2EN1YLAMINO)METHYLIDENE)CYCLOHEXANE13DIONE
55DIMETHYL2((PROP2ENYLAMINO)METHYLIDENE)CYCLOHEXANE13DIONE
CC1(CC(=O)C(=CNCC=C)C(=O)C1)C
CYCLOHEXANE13DIONE2ALLYLAMINOMETHYLENE55DIMETHYL
InChI=1SC12H17NO2c145138910(14)612(23)711(9)15h4813H157H223H3
MFCD00453313
ZINC000100048306
ZINC100048306

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Available files

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