Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-yl)-N-propylprop-2-enamide

Catalog ID
STK260386
SMILES CCCNC(=O)/C=C/c1ccc2c(c1)OCO2

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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 C13H15NO3 MW 233.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15NO3/c1-2-7-14-13(15)6-4-10-3-5-11-12(8-10)17-9-16-11/h3-6,8H,2,7,9H2,1H3,(H,14,15)/b6-4+
InChIKey
CEFWEZFUQYSVNT-GQCTYLIASA-N
Synonyms
116591-96-9
(2E)3(13benzodioxol5yl)Npropylprop2enamide
(2E)3(2HBENZO(34D)13DIOXOLAN5YL)NPROPYLPROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)NPROPYLPROP2ENAMIDE
116591969
CCCNC(=O)C=CC1=CC2=C(C=C1)OCO2
CCCNC(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC13H15NO3c1271413(15)6410351112(810)1791611h368H279H21H3(H1415)b64+
MFCD02218301
ZINC000002958984
ZINC02958984
ZINC2958984

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Available files

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