Vitas-M small molecule compound

methyl 2-(acetylamino)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoroalaninate

Catalog ID
STK763264
SMILES N#Cc1c(sc2c1CCCCC2)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 C16H18F3N3O3S MW 389.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18F3N3O3S/c1-9(23)21-15(14(24)25-2,16(17,18)19)22-13-11(8-20)10-6-4-3-5-7-12(10)26-13/h22H,3-7H2,1-2H3,(H,21,23)
InChIKey
NGFLFOXCGLOCIW-UHFFFAOYSA-N
Synonyms

CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=C(C2=C(S1)CCCCC2)C#N
InChI=1SC16H18F3N3O3Sc19(23)2115(14(24)25216(1718)19)221311(820)106435712(10)2613h22H37H212H3(H2123)
methyl2(acetylamino)N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)333trifluoroalaninate
methyl2acetamido2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)333trifluoropropanoate
MFCD02642868
ZINC000004548673
ZINC000004548676

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Available files

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