Vitas-M small molecule compound

2-chloro-N-{(1Z)-1-[1-cyano-2-oxo-2-(propylamino)ethylidene]-1H-isoindol-3-yl}benzamide

Catalog ID
STK829184
SMILES CCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccccc1Cl)/C#N

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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 C21H17ClN4O2 MW 392.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O2/c1-2-11-24-20(27)16(12-23)18-13-7-3-4-8-14(13)19(25-18)26-21(28)15-9-5-6-10-17(15)22/h3-10H,2,11H2,1H3,(H,24,27)(H,25,26,28)/b18-16-
InChIKey
BUUUOIZISBWVGS-VLGSPTGOSA-N
Synonyms
900260-56-2
(Z)2chloroN(1(1cyano2oxo2(propylamino)ethylidene)1Hisoindol3yl)benzamide
2chloroN((1Z)1(1cyano2oxo2(propylamino)ethylidene)1Hisoindol3yl)benzamide
2CHLORON((3Z)3(1CYANO2OXO2(PROPYLAMINO)ETHYLIDENE)ISOINDOL1YL)BENZAMIDE
900260562
CCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CC=C3Cl)C#N
CCCNC(=O)C(=C1N=C(c2c1cccc2)NC(=O)c1ccccc1Cl)C#N
InChI=1SC21H17ClN4O2c12112420(27)16(1223)1813734814(13)19(2518)2621(28)159561017(15)22h310H211H21H3(H2427)(H252628)b1816
MFCD06774525
ZINC000005245786
ZINC05245786
ZINC5245786

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Available files

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