Vitas-M small molecule compound

N-(3,4-dichlorobenzyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide

Catalog ID
STL435095
SMILES COc1cc(cc2c1OCO2)C(c1c(=O)oc2c(c1O)cccc2)CC(=O)NCc1ccc(c(c1)Cl)Cl

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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 C27H21Cl2NO7 MW 542.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21Cl2NO7/c1-34-21-9-15(10-22-26(21)36-13-35-22)17(11-23(31)30-12-14-6-7-18(28)19(29)8-14)24-25(32)16-4-2-3-5-20(16)37-27(24)33/h2-10,17,32H,11-13H2,1H3,(H,30,31)
InChIKey
MMJQVXNGXYKEGQ-UHFFFAOYSA-N
Synonyms

COC1=CC(=CC2=C1OCO2)C(CC(=O)NCC3=CC(=C(C=C3)Cl)Cl)C4=C(C5=CC=CC=C5OC4=O)O
InChI=1SC27H21Cl2NO7c13421915(102226(21)36133522)17(1123(31)3012146718(28)19(29)814)2425(32)16423520(16)3727(24)33h2101732H1113H21H3(H3031)
MFCD30711631
N((34dichlorophenyl)methyl)3(4hydroxy2oxochromen3yl)3(7methoxy13benzodioxol5yl)propanamide
N(34dichlorobenzyl)3(4hydroxy2oxo2Hchromen3yl)3(7methoxy13benzodioxol5yl)propanamide
ZINC000253471143
ZINC000253471145

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Available files

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