Vitas-M small molecule compound

N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Catalog ID
STK462868
SMILES Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc2c(s1)CCCC2

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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 C20H20N4O3S2 MW 428.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S2/c1-13-10-11-21-20(22-13)24-29(26,27)16-8-6-15(7-9-16)23-19(25)18-12-14-4-2-3-5-17(14)28-18/h6-12H,2-5H2,1H3,(H,23,25)(H,21,22,24)
InChIKey
MHTZYXNIOJWZTR-UHFFFAOYSA-N
Synonyms

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)CCCC4
InChI=1SC20H20N4O3S2c11310112120(2213)2429(2627)168615(7916)2319(25)181214423517(14)2818h612H25H21H3(H2325)(H212224)
MFCD06004270
N(4((4methylpyrimidin2yl)sulfamoyl)phenyl)4567tetrahydro1benzothiophene2carboxamide
ZINC000001053806
ZINC01053806
ZINC1053806

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Available files

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