Vitas-M small molecule compound

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

Catalog ID
STK420764
SMILES N#Cc1c(NC(=O)c2cc(nc3c2cccc3)c2ccc(s2)C)sc2c1CCC(C2)C

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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 C25H21N3OS2 MW 443.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3OS2/c1-14-7-9-17-19(13-26)25(31-23(17)11-14)28-24(29)18-12-21(22-10-8-15(2)30-22)27-20-6-4-3-5-16(18)20/h3-6,8,10,12,14H,7,9,11H2,1-2H3,(H,28,29)
InChIKey
XBCZYCUXFAHKBL-UHFFFAOYSA-N
Synonyms
438471-99-9
438471999
CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)C
InChI=1SC25H21N3OS2c114791719(1326)25(3123(17)1114)2824(29)181221(2210815(2)3022)2720643516(18)20h368101214H7911H212H3(H2829)
MFCD02371549
N(3cyano6methyl4567tetrahydro1benzothiophen2yl)2(5methylthiophen2yl)quinoline4carboxamide
ZINC000002752310
ZINC000002752311

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Available files

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