Vitas-M small molecule compound

ethyl 2-[(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK340379
SMILES CCOC(=O)c1c(NC(=O)CCCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)c2ccc(c(c2)OC)OC)sc2c1CCC2

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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 C27H28F3N3O7S2 MW 627.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28F3N3O7S2/c1-4-40-25(35)23-16-7-5-8-20(16)41-24(23)33-22(34)9-6-12-42(36,37)26-31-17(14-21(32-26)27(28,29)30)15-10-11-18(38-2)19(13-15)39-3/h10-11,13-14H,4-9,12H2,1-3H3,(H,33,34)
InChIKey
JYZHXDUCRSOTOR-UHFFFAOYSA-N
Synonyms
685527-47-3
685527473
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CCCS(=O)(=O)C3=NC(=CC(=N3)C(F)(F)F)C4=CC(=C(C=C4)OC)OC
ethyl2((4((4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonyl)butanoyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2(4((4(34DIMETHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYL)BUTANOYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
ethyl2(4(4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonylbutanoylamino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
InChI=1SC27H28F3N3O7S2c144025(35)231675820(16)4124(23)3322(34)961242(3637)263117(1421(3226)27(2829)30)15101118(382)19(1315)393h10111314H4912H213H3(H3334)
MFCD06164219
ZINC000098043171
ZINC98043171

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Available files

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