Vitas-M small molecule compound

N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide

Catalog ID
STK420381
SMILES CCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)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 C27H24ClN3O2S MW 490.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN3O2S/c1-2-15-7-12-19-23(13-15)34-27(24(19)25(29)32)31-26(33)20-14-22(16-8-10-17(28)11-9-16)30-21-6-4-3-5-18(20)21/h3-6,8-11,14-15H,2,7,12-13H2,1H3,(H2,29,32)(H,31,33)
InChIKey
QVYUGUVBGBSRTE-UHFFFAOYSA-N
Synonyms
353770-21-5
353770215
CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl
InChI=1SC27H24ClN3O2Sc12157121923(1315)3427(24(19)25(29)32)3126(33)201422(1681017(28)11916)3021643518(20)21h368111415H271213H21H3(H22932)(H3133)
MFCD01835572
N(3carbamoyl6ethyl4567tetrahydro1benzothiophen2yl)2(4chlorophenyl)quinoline4carboxamide
ZINC000002086405
ZINC000002086406

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Available files

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