Vitas-M small molecule compound
methyl 2-{[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(pentanoylamino)propan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK536370
SMILES CCCCC(=O)NC(C(F)(F)F)(C(=O)OCC)Nc1sc2c(c1C(=O)OC)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 C20H27F3N2O5S MW 464.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27F3N2O5S/c1-4-6-11-14(26)24-19(20(21,22)23,18(28)30-5-2)25-16-15(17(27)29-3)12-9-7-8-10-13(12)31-16/h25H,4-11H2,1-3H3,(H,24,26)InChIKey
HDBUGKAMRYYGSF-UHFFFAOYSA-NSynonyms
CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C2=C(S1)CCCC2)C(=O)OC
InChI=1SC20H27F3N2O5Sc1461114(26)2419(20(2122)2318(28)3052)251615(17(27)293)129781013(12)3116h25H411H213H3(H2426)
methyl2((3ethoxy111trifluoro3oxo2(pentanoylamino)propan2yl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3ethoxy111trifluoro3oxo2pentanamidopropan2yl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD02933400
ZINC000008742625
ZINC000013801974
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