Vitas-M small molecule compound

N-{[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-fluorobenzamide

Catalog ID
STK247915
SMILES COc1ccc(cc1NC(=S)NC(=O)c1cccc(c1)F)c1nc2c(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 C22H16FN3O2S2 MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O2S2/c1-28-18-10-9-14(21-24-16-7-2-3-8-19(16)30-21)12-17(18)25-22(29)26-20(27)13-5-4-6-15(23)11-13/h2-12H,1H3,(H2,25,26,27,29)
InChIKey
YFJXJZHFNSYQGI-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC(=CC=C4)F
InChI=1SC22H16FN3O2S2c1281810914(212416723819(16)3021)1217(18)2522(29)2620(27)1354615(23)1113h212H1H3(H225262729)
MFCD03836417
N(((5BENZOTHIAZOL2YL2METHOXYPHENYL)AMINO)THIOXOMETHYL)(3FLUOROPHENYL)CARBOXAMIDE
N((5(13benzothiazol2yl)2methoxyphenyl)carbamothioyl)3fluorobenzamide
ZINC000004122550
ZINC04122550
ZINC4122550

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Available files

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