Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propanoic acid
Catalog ID
STK046489
SMILES COc1ccccc1C(c1ccc2c(c1)OCO2)CC(=O)O
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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 C17H16O5 MW 300.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16O5/c1-20-14-5-3-2-4-12(14)13(9-17(18)19)11-6-7-15-16(8-11)22-10-21-15/h2-8,13H,9-10H2,1H3,(H,18,19)InChIKey
WTLXOHDZGPHZDO-UHFFFAOYSA-NSynonyms
364738-87-43(13BENZODIOXOL5YL)3(2METHOXYPHENYL)PROPANOICACID
3(benzo(d)(13)dioxol5yl)3(2methoxyphenyl)propanoicacid
364738874
COC1=CC=CC=C1C(CC(=O)O)C2=CC3=C(C=C2)OCO3
COc1ccccc1C(c1ccc2c(c1)OCO2)CC(=O)O
InChI=1SC17H16O5c12014532412(14)13(917(18)19)11671516(811)22102115h2813H910H21H3(H1819)
MFCD03192644
STK046489
ZINC000005880638
ZINC000005880649
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