Vitas-M small molecule compound

methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate

Catalog ID
STK763522
SMILES COC(=O)NC(C(F)(F)F)(C(=O)OC)Nc1sc2c(c1C#N)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 C15H16F3N3O4S MW 391.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16F3N3O4S/c1-24-12(22)14(15(16,17)18,21-13(23)25-2)20-11-9(7-19)8-5-3-4-6-10(8)26-11/h20H,3-6H2,1-2H3,(H,21,23)
InChIKey
ARMUQQRVFFFKCQ-UHFFFAOYSA-N
Synonyms
373612-36-3
373612363
COC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C#N)NC(=O)OC
InChI=1SC15H16F3N3O4Sc12412(22)14(15(1617)182113(23)252)20119(719)8534610(8)2611h20H36H212H3(H2123)
methyl2((3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoro2(methoxycarbonylamino)propanoate
methyl2((3cyano4567tetrahydrobenzo(b)thiophen2yl)amino)333trifluoro2((methoxycarbonyl)amino)propanoate
methylN(3cyano4567tetrahydro1benzothiophen2yl)333trifluoro2((methoxycarbonyl)amino)alaninate
MFCD01948027
ZINC000002281220
ZINC000002281221

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Available files

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