Vitas-M small molecule compound

N-[2,6-di(propan-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Catalog ID
STK485104
SMILES O=C(c1ccc2c(c1)OCCO2)Nc1c(cccc1C(C)C)C(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 C21H25NO3 MW 339.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO3/c1-13(2)16-6-5-7-17(14(3)4)20(16)22-21(23)15-8-9-18-19(12-15)25-11-10-24-18/h5-9,12-14H,10-11H2,1-4H3,(H,22,23)
InChIKey
GDVWKNLSLFNQMN-UHFFFAOYSA-N
Synonyms

2H3HBENZO(34E)14DIOXAN6YLN(26BIS(METHYLETHYL)PHENYL)CARBOXAMIDE
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC3=C(C=C2)OCCO3
InChI=1SC21H25NO3c113(2)1665717(14(3)4)20(16)2221(23)15891819(1215)2511102418h591214H1011H214H3(H2223)
MFCD08725151
N(26di(propan2yl)phenyl)23dihydro14benzodioxine6carboxamide
ZINC000007669080
ZINC07669080
ZINC7669080

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Available files

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