Vitas-M small molecule compound
ethyl 2-{[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(pentanoylamino)propan-2-yl]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Catalog ID
STK677631
SMILES CCCCC(=O)NC(C(F)(F)F)(C(=O)OCC)Nc1sc2c(c1C(=O)OCC)CCN(C2)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 C21H30F3N3O5S MW 493.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30F3N3O5S/c1-5-8-9-15(28)25-20(21(22,23)24,19(30)32-7-3)26-17-16(18(29)31-6-2)13-10-11-27(4)12-14(13)33-17/h26H,5-12H2,1-4H3,(H,25,28)InChIKey
JQXNDUQXZAFKKC-UHFFFAOYSA-NSynonyms
CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C2=C(S1)CN(CC2)C)C(=O)OCC
ethyl2((3ethoxy111trifluoro3oxo2(pentanoylamino)propan2yl)amino)6methyl4567tetrahydrothieno(23c)pyridine3carboxylate
ETHYL2((3ETHOXY111TRIFLUORO3OXO2(PENTANOYLAMINO)PROPAN2YL)AMINO)6METHYL57DIHYDRO4HTHIENO(23C)PYRIDINE3CARBOXYLATE
InChI=1SC21H30F3N3O5Sc158915(28)2520(21(2223)2419(30)3273)261716(18(29)3162)13101127(4)1214(13)3317h26H512H214H3(H2528)
MFCD02933989
ZINC000008854925
ZINC000012419542
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