Vitas-M small molecule compound

ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoro-2-[(phenylcarbonyl)amino]alaninate

Catalog ID
STK528072
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)c1ccccc1

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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 C22H22F3N3O3S MW 465.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N3O3S/c1-2-31-20(30)21(22(23,24)25,27-18(29)14-9-5-3-6-10-14)28-19-16(13-26)15-11-7-4-8-12-17(15)32-19/h3,5-6,9-10,28H,2,4,7-8,11-12H2,1H3,(H,27,29)
InChIKey
OVMXHDFUNCJKKV-UHFFFAOYSA-N
Synonyms
352317-17-0
352317170
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCCC2)C#N)NC(=O)C3=CC=CC=C3
ethyl2benzamido2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)333trifluoropropanoate
ethylN(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)333trifluoro2((phenylcarbonyl)amino)alaninate
InChI=1SC22H22F3N3O3Sc123120(30)21(22(2324)252718(29)1495361014)281916(1326)15117481217(15)3219h35691028H24781112H21H3(H2729)
MFCD01955542
ZINC000002050118
ZINC000002050119

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Available files

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