Vitas-M small molecule compound

methyl 2-({1,1,1,3,3,3-hexafluoro-2-[(phenylacetyl)amino]propan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK772431
SMILES COC(=O)c1c(sc2c1CCCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)Cc1ccccc1

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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 C22H22F6N2O3S MW 508.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F6N2O3S/c1-33-19(32)17-14-10-6-3-7-11-15(14)34-18(17)30-20(21(23,24)25,22(26,27)28)29-16(31)12-13-8-4-2-5-9-13/h2,4-5,8-9,30H,3,6-7,10-12H2,1H3,(H,29,31)
InChIKey
ZGYMUAQMOWGJNJ-UHFFFAOYSA-N
Synonyms
524717-00-8
524717008
COC(=O)C1=C(SC2=C1CCCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)CC3=CC=CC=C3
InChI=1SC22H22F6N2O3Sc13319(32)1714106371115(14)3418(17)3020(21(2324)2522(2627)28)2916(31)12138425913h2458930H3671012H21H3(H2931)
methyl2((111333hexafluoro2((2phenylacetyl)amino)propan2yl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((111333hexafluoro2((phenylacetyl)amino)propan2yl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((111333hexafluoro2(2phenylacetamido)propan2yl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03617234
ZINC000002448189
ZINC02448189
ZINC2448189

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Available files

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