Vitas-M small molecule compound

N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-cyano-2-fluorobenzamide

Catalog ID
STK319165
SMILES CCCC(=O)Nc1nc2c(s1)cc(cc2)NC(=O)c1ccc(cc1F)C#N

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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 C19H15FN4O2S MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15FN4O2S/c1-2-3-17(25)24-19-23-15-7-5-12(9-16(15)27-19)22-18(26)13-6-4-11(10-21)8-14(13)20/h4-9H,2-3H2,1H3,(H,22,26)(H,23,24,25)
InChIKey
VCHQJMHFWRHVDE-UHFFFAOYSA-N
Synonyms

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)C#N)F
InChI=1SC19H15FN4O2Sc12317(25)241923157512(916(15)2719)2218(26)136411(1021)814(13)20h49H23H21H3(H2226)(H232425)
MFCD07187978
N(2(BUTANOYLAMINO)13BENZOTHIAZOL6YL)4CYANO2FLUOROBENZAMIDE
N(2(BUTYRYLAMINO)13BENZOTHIAZOL6YL)4CYANO2FLUOROBENZAMIDE
N(2BUTYRYLAMINOBENZOTHIAZOL6YL)4CYANO2FLUOROBENZAMIDE
ZINC000004385369
ZINC04385369
ZINC4385369

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Available files

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