Vitas-M small molecule compound

methyl 3,3,3-trifluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(phenylacetyl)amino]alaninate

Catalog ID
STK542618
SMILES COC(=O)C(C(F)(F)F)(Nc1nc2c(s1)cc(cc2)F)NC(=O)Cc1ccccc1

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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 C19H15F4N3O3S MW 441.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15F4N3O3S/c1-29-16(28)18(19(21,22)23,25-15(27)9-11-5-3-2-4-6-11)26-17-24-13-8-7-12(20)10-14(13)30-17/h2-8,10H,9H2,1H3,(H,24,26)(H,25,27)
InChIKey
TYLDHSYLWFPOCY-UHFFFAOYSA-N
Synonyms
488852-46-6
(S)methyl333trifluoro2((6fluorobenzo(d)thiazol2yl)amino)2(2phenylacetamido)propanoate
333TRIFLUORO2(6FLUOROBENZOTHIAZOL2YLAMINO)2PHENYLACETYLAMINOPROPIONICACIDMETHYLESTER
488852466
COC(=O)C(C(F)(F)F)(NC1=NC2=C(S1)C=C(C=C2)F)NC(=O)CC3=CC=CC=C3
InChI=1SC19H15F4N3O3Sc12916(28)18(19(2122)232515(27)9115324611)261724138712(20)1014(13)3017h2810H9H21H3(H2426)(H2527)
METHYL333TRIFLUORO2((6FLUORO13BENZOTHIAZOL2YL)AMINO)2((2PHENYLACETYL)AMINO)PROPANOATE
METHYL333TRIFLUORO2((6FLUORO13BENZOTHIAZOL2YL)AMINO)2((PHENYLACETYL)AMINO)PROPANOATE
methyl333trifluoroN(6fluoro13benzothiazol2yl)2((phenylacetyl)amino)alaninate
MFCD03294717
ZINC000009044093
ZINC000017028348

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Available files

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