Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide

Catalog ID
STK419577
SMILES CCCOc1cccc(c1)c1nc2ccccc2c(c1)C(=O)NCc1ccc2c(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 C27H24N2O4 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O4/c1-2-12-31-20-7-5-6-19(14-20)24-15-22(21-8-3-4-9-23(21)29-24)27(30)28-16-18-10-11-25-26(13-18)33-17-32-25/h3-11,13-15H,2,12,16-17H2,1H3,(H,28,30)
InChIKey
SHFNODMOCTVQST-UHFFFAOYSA-N
Synonyms
444908-75-2
444908752
CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5
InChI=1SC27H24N2O4c1212312075619(1420)241522(21834923(21)2924)27(30)28161810112526(1318)33173225h3111315H2121617H21H3(H2830)
MFCD02176788
N(13benzodioxol5ylmethyl)2(3propoxyphenyl)quinoline4carboxamide
ZINC000002759617
ZINC02759617
ZINC2759617

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Available files

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