Vitas-M small molecule compound

3-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-benzothiophene-2-carboxamide

Catalog ID
STK442835
SMILES CCc1c(C)sc(c1C#N)NC(=O)c1sc2c(c1Cl)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 C17H13ClN2OS2 MW 360.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2OS2/c1-3-10-9(2)22-17(12(10)8-19)20-16(21)15-14(18)11-6-4-5-7-13(11)23-15/h4-7H,3H2,1-2H3,(H,20,21)
InChIKey
BJVSFBJYDILLRP-UHFFFAOYSA-N
Synonyms

(3CHLOROBENZO(B)THIOPHEN2YL)N(3CYANO4ETHYL5METHYL(2THIENYL))CARBOXAMIDE
3chloroN(3cyano4ethyl5methylthiophen2yl)1benzothiophene2carboxamide
CCC1=C(SC(=C1C#N)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C
InChI=1SC17H13ClN2OS2c13109(2)2217(12(10)819)2016(21)1514(18)11645713(11)2315h47H3H212H3(H2021)
MFCD00616369
ZINC000000822247
ZINC00822247
ZINC822247

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Available files

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