Vitas-M small molecule compound

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-hydroxyethyl)ethanediamide

Catalog ID
STK610586
SMILES OCCNC(=O)C(=O)Nc1sc2c(c1C#N)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 C13H15N3O3S MW 293.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O3S/c14-7-9-8-3-1-2-4-10(8)20-13(9)16-12(19)11(18)15-5-6-17/h17H,1-6H2,(H,15,18)(H,16,19)
InChIKey
XWNZPEPOJAETJH-UHFFFAOYSA-N
Synonyms
904007-92-7
904007927
C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NCCO)C#N
InChI=1SC13H15N3O3Sc14798312410(8)2013(9)1612(19)11(18)155617h17H16H2(H1518)(H1619)
MFCD08285973
N(3cyano4567tetrahydro1benzothiophen2yl)N(2hydroxyethyl)ethanediamide
N(3cyano4567tetrahydro1benzothiophen2yl)N(2hydroxyethyl)oxamide
N1(3cyano4567tetrahydrobenzo(b)thiophen2yl)N2(2hydroxyethyl)oxalamide
ZINC000006662794
ZINC06662794
ZINC6662794

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Available files

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