Vitas-M small molecule compound

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanophenyl)butanamide

Catalog ID
STK124999
SMILES CCC(C(=O)Nc1ccccc1C#N)Sc1nc2c(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 C18H15N3OS2 MW 353.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3OS2/c1-2-15(17(22)20-13-8-4-3-7-12(13)11-19)23-18-21-14-9-5-6-10-16(14)24-18/h3-10,15H,2H2,1H3,(H,20,22)
InChIKey
BJLMZZTXIJCKAC-UHFFFAOYSA-N
Synonyms

2(13BENZOTHIAZOL2YLSULFANYL)N(2CYANOPHENYL)BUTANAMIDE
2(BENZOTHIAZOL2YLSULFANYL)N(2CYANOPHENYL)BUTYRAMIDE
2BENZOTHIAZOL2YLTHION(2CYANOPHENYL)BUTANAMIDE
CCC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=CC=CC=C3S2
InChI=1SC18H15N3OS2c1215(17(22)2013843712(13)1119)231821149561016(14)2418h31015H2H21H3(H2022)
MFCD02227867
ZINC000000781502
ZINC000000781503
ZINC00781503

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Available files

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