Vitas-M small molecule compound

2-oxo-2-(thiophen-2-yl)ethyl 2-(3-chloro-2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

Catalog ID
STK264516
SMILES O=C(c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1C)Cl)OCC(=O)c1cccs1

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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 C22H14ClNO5S MW 439.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14ClNO5S/c1-12-16(23)4-2-5-17(12)24-20(26)14-8-7-13(10-15(14)21(24)27)22(28)29-11-18(25)19-6-3-9-30-19/h2-10H,11H2,1H3
InChIKey
XDTNHBQJHLCCOY-UHFFFAOYSA-N
Synonyms

(2oxo2thiophen2ylethyl)2(3chloro2methylphenyl)13dioxoisoindole5carboxylate
2oxo2(thiophen2yl)ethyl2(3chloro2methylphenyl)13dioxo23dihydro1Hisoindole5carboxylate
CC1=C(C=CC=C1Cl)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=CS4
InChI=1SC22H14ClNO5Sc11216(23)42517(12)2420(26)148713(1015(14)21(24)27)22(28)291118(25)196393019h210H11H21H3
MFCD06194564
ZINC000013856609
ZINC13856609

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Available files

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