Vitas-M small molecule compound

N-{3-[(4-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyridine-4-carboxamide

Catalog ID
STK007436
SMILES Cc1ccc(cc1)NC(=O)c1c(sc2c1CCCC2)NC(=O)c1ccncc1

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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 C22H21N3O2S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O2S/c1-14-6-8-16(9-7-14)24-21(27)19-17-4-2-3-5-18(17)28-22(19)25-20(26)15-10-12-23-13-11-15/h6-13H,2-5H2,1H3,(H,24,27)(H,25,26)
InChIKey
ICLFDOXLPRZBMX-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=NC=C4
Cc1ccc(cc1)NC(=O)c1c(sc2c1CCCC2)NC(=O)c1ccncc1
InChI=1SC22H21N3O2Sc1146816(9714)2421(27)1917423518(17)2822(19)2520(26)15101223131115h613H25H21H3(H2427)(H2526)
MFCD00782233
N(3((4methylphenyl)carbamoyl)4567tetrahydro1benzothiophen2yl)pyridine4carboxamide
STK007436
ZINC000003100246
ZINC03100246
ZINC3100246

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Available files

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