Vitas-M small molecule compound

methyl 2-(acetylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate

Catalog ID
STK765802
SMILES CCOc1ccc2c(c1)sc(n2)NC(C(F)(F)F)(C(=O)OC)NC(=O)C

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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 C15H16F3N3O4S MW 391.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16F3N3O4S/c1-4-25-9-5-6-10-11(7-9)26-13(19-10)21-14(12(23)24-3,15(16,17)18)20-8(2)22/h5-7H,4H2,1-3H3,(H,19,21)(H,20,22)
InChIKey
KXWCCYHBXGCBIV-UHFFFAOYSA-N
Synonyms
447411-05-4
(S)methyl2acetamido2((6ethoxybenzo(d)thiazol2yl)amino)333trifluoropropanoate
2ACETYLAMINO2(6ETHOXYBENZOTHIAZOL2YLAMINO)333TRIFLUOROPROPIONICACIDMETHYLESTER
447411054
CCOC1=CC2=C(C=C1)N=C(S2)NC(C(=O)OC)(C(F)(F)F)NC(=O)C
InChI=1SC15H16F3N3O4Sc14259561011(79)2613(1910)2114(12(23)24315(1617)18)208(2)22h57H4H213H3(H1921)(H2022)
METHYL2(ACETYLAMINO)2((6ETHOXY13BENZOTHIAZOL2YL)AMINO)333TRIFLUOROPROPANOATE
METHYL2(ACETYLAMINO)2((6ETHOXYBENZOTHIAZOL2YL)AMINO)333TRIFLUOROPROPANOATE
methyl2(acetylamino)N(6ethoxy13benzothiazol2yl)333trifluoroalaninate
METHYL2(ACETYLAMINO)N(6ETHOXY13BENZOTHIAZOL2YL)333TRIFLUORODALANINATE
METHYL2ACETAMIDO2((6ETHOXY13BENZOTHIAZOL2YL)AMINO)333TRIFLUOROPROPANOATE
MFCD02934155
ZINC000009109419
ZINC000009109420

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Available files

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