Vitas-M small molecule compound

N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-amine 1,1-dioxide

Catalog ID
STK249157
SMILES FC(c1ccc(c(c1)NC1=NS(=O)(=O)c2c1cccc2)N1CCOCC1)(F)F

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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 C18H16F3N3O3S MW 411.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F3N3O3S/c19-18(20,21)12-5-6-15(24-7-9-27-10-8-24)14(11-12)22-17-13-3-1-2-4-16(13)28(25,26)23-17/h1-6,11H,7-10H2,(H,22,23)
InChIKey
IYRPGHRENBSXHP-UHFFFAOYSA-N
Synonyms

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC18H16F3N3O3Sc1918(2021)125615(24792710824)14(1112)221713312416(13)28(2526)2317h1611H710H2(H2223)
MFCD08575673
N(2(morpholin4yl)5(trifluoromethyl)phenyl)12benzothiazol3amine11dioxide
N(2morpholin4yl5(trifluoromethyl)phenyl)11dioxo12benzothiazol3amine
ZINC000009295458
ZINC09295458
ZINC9295458

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Available files

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