Vitas-M small molecule compound

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

Catalog ID
STK234631
SMILES N#Cc1c(NC(=O)c2ccc3c(c2)OCO3)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 C18H16N2O3S MW 340.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O3S/c1-10-2-4-12-13(8-19)18(24-16(12)6-10)20-17(21)11-3-5-14-15(7-11)23-9-22-14/h3,5,7,10H,2,4,6,9H2,1H3,(H,20,21)
InChIKey
SSTSMHZXUNYWLC-UHFFFAOYSA-N
Synonyms

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC18H16N2O3Sc110241213(819)18(2416(12)610)2017(21)11351415(711)2392214h35710H2469H21H3(H2021)
MFCD01247514
N(3cyano6methyl4567tetrahydro1benzothiophen2yl)13benzodioxole5carboxamide
ZINC000000035588
ZINC000000035589

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Available files

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