Vitas-M small molecule compound

ethyl [2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate

Catalog ID
STL297876
SMILES CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1nc2c(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 C13H11F6N3O2S MW 387.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11F6N3O2S/c1-2-24-10(23)22-11(12(14,15)16,13(17,18)19)21-9-20-7-5-3-4-6-8(7)25-9/h3-6H,2H2,1H3,(H,20,21)(H,22,23)
InChIKey
APAFTINWUUXRCD-UHFFFAOYSA-N
Synonyms
170030-01-0
170030010
CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC2=CC=CC=C2S1
ethyl(2(13benzothiazol2ylamino)111333hexafluoropropan2yl)carbamate
ethyl(2(benzo(d)thiazol2ylamino)111333hexafluoropropan2yl)carbamate
ethylN(2(13benzothiazol2ylamino)111333hexafluoropropan2yl)carbamate
InChI=1SC13H11F6N3O2Sc122410(23)2211(12(1415)1613(1718)19)21920753468(7)259h36H2H21H3(H2021)(H2223)
MFCD00379449
ZINC000002050559
ZINC02050559
ZINC2050559

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Available files

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