Vitas-M small molecule compound

methyl 2-(acetylamino)-3,3,3-trifluoro-N-(6-nitro-1,3-benzothiazol-2-yl)alaninate

Catalog ID
STK767126
SMILES COC(=O)C(C(F)(F)F)(Nc1nc2c(s1)cc(cc2)[N+](=O)[O-])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 C13H11F3N4O5S MW 392.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11F3N4O5S/c1-6(21)18-12(10(22)25-2,13(14,15)16)19-11-17-8-4-3-7(20(23)24)5-9(8)26-11/h3-5H,1-2H3,(H,17,19)(H,18,21)
InChIKey
SNELLIBMYLTTDE-UHFFFAOYSA-N
Synonyms

2ACETYLAMINO333TRIFLUORO2(6NITROBENZOTHIAZOL2YLAMINO)PROPIONICACIDMETHYLESTER
CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=C(S1)C=C(C=C2)(N+)(=O)(O)
COC(=O)C(C(F)(F)F)(Nc1nc2c(s1)cc(cc2)(N+)(=O)(O))NC(=O)C
InChI=1SC13H11F3N4O5Sc16(21)1812(10(22)25213(1415)16)1911178437(20(23)24)59(8)2611h35H12H3(H1719)(H1821)
METHYL2(ACETYLAMINO)333TRIFLUORO2((6NITRO13BENZOTHIAZOL2YL)AMINO)PROPANOATE
METHYL2(ACETYLAMINO)333TRIFLUORO2((6NITROBENZOTHIAZOL2YL)AMINO)PROPANOATE
methyl2(acetylamino)333trifluoroN(6nitro13benzothiazol2yl)alaninate
METHYL2(ACETYLAMINO)333TRIFLUORON(6NITRO13BENZOTHIAZOL2YL)LALANINATE
METHYL2ACETAMIDO333TRIFLUORO2((6NITRO13BENZOTHIAZOL2YL)AMINO)PROPANOATE
MFCD03036707
ZINC000002050403
ZINC000002050404

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Available files

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