Vitas-M small molecule compound

2-(1,3-benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid

Catalog ID
STK431013
SMILES Cc1ccc2c(c1)c(cc(n2)c1ccc2c(c1)OCO2)C(=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 C18H13NO4 MW 307.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13NO4/c1-10-2-4-14-12(6-10)13(18(20)21)8-15(19-14)11-3-5-16-17(7-11)23-9-22-16/h2-8H,9H2,1H3,(H,20,21)
InChIKey
MFJIYRWFCABQBX-UHFFFAOYSA-N
Synonyms
438220-99-6
2(13benzodioxol5yl)6methylquinoline4carboxylicacid
2(2H13BENZODIOXOL5YL)6METHYLQUINOLINE4CARBOXYLICACID
2(2HBENZO(34D)13DIOXOLAN5YL)6METHYLQUINOLINE4CARBOXYLICACID
438220996
CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(C=C3)OCO4
InChI=1SC18H13NO4c110241412(610)13(18(20)21)815(1914)11351617(711)2392216h28H9H21H3(H2021)
MFCD03074335
ZINC000001457179
ZINC1457179

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Available files

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