Vitas-M small molecule compound

ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(2-methoxyphenyl)propanoate

Catalog ID
STK010921
SMILES CCOC(=O)C(C(c1ccccc1OC)c1ccc2c(c1)OCO2)C#N

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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 C20H19NO5 MW 353.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO5/c1-3-24-20(22)15(11-21)19(14-6-4-5-7-16(14)23-2)13-8-9-17-18(10-13)26-12-25-17/h4-10,15,19H,3,12H2,1-2H3
InChIKey
VUELZPLNAANNNG-UHFFFAOYSA-N
Synonyms
374541-82-9
374541829
3BENZO(13)DIOXOL5YL2CYANO3(2METHOXYPHENYL)PROPIONICACIDETHYLESTER
CCOC(=O)C(C#N)C(C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3OC
CCOC(=O)C(C(c1ccccc1OC)c1ccc2c(c1)OCO2)C#N
ETHYL(2R3S)3(13BENZODIOXOL5YL)2CYANO3(2METHOXYPHENYL)PROPANOATE
ETHYL3(13BENZODIOXOL5YL)2CYANO3(2METHOXYPHENYL)PROPANOATE
ETHYL3(2HBENZO(34D)13DIOXOLEN5YL)2CYANO3(2METHOXYPHENYL)PROPANOATE
ethyl3(benzo(d)(13)dioxol5yl)2cyano3(2methoxyphenyl)propanoate
InChI=1SC20H19NO5c132420(22)15(1121)19(14645716(14)232)13891718(1013)26122517h4101519H312H212H3
MFCD01955805
STK010921
ZINC000000915648
ZINC000000915653

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Available files

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