Vitas-M small molecule compound

(2E)-3-[1-(4-chlorobenzyl)-1H-indol-3-yl]-2-cyano-N-cyclopropylprop-2-enamide

Catalog ID
STK056940
SMILES N#C/C(=C\c1cn(c2c1cccc2)Cc1ccc(cc1)Cl)/C(=O)NC1CC1

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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 C22H18ClN3O MW 375.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O/c23-18-7-5-15(6-8-18)13-26-14-17(20-3-1-2-4-21(20)26)11-16(12-24)22(27)25-19-9-10-19/h1-8,11,14,19H,9-10,13H2,(H,25,27)/b16-11+
InChIKey
VUHDDSSYNYGIJA-LFIBNONCSA-N
Synonyms
371923-48-7
(2E)3(1((4CHLOROPHENYL)METHYL)INDOL3YL)2CYANONCYCLOPROPYLPROP2ENAMIDE
(2E)3(1(4CHLOROBENZYL)1HINDOL3YL)2CYANONCYCLOPROPYLPROP2ENAMIDE
(E)3(1((4CHLOROPHENYL)METHYL)INDOL3YL)2CYANONCYCLOPROPYLPROP2ENAMIDE
(E)3(1(4chlorobenzyl)1Hindol3yl)2cyanoNcyclopropylacrylamide
371923487
C1CC1NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl)C#N
InChI=1SC22H18ClN3Oc23187515(6818)13261417(20312421(20)26)1116(1224)22(27)251991019h18111419H91013H2(H2527)b1611+
MFCD03007187
N#CC(=Cc1cn(c2c1cccc2)Cc1ccc(cc1)Cl)C(=O)NC1CC1
STK056940
ZINC000001249109
ZINC01249109
ZINC1249109

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Available files

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