Vitas-M small molecule compound
methyl N-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,3,3-trifluoro-2-(4-fluorophenoxy)alaninate
Catalog ID
STK378019
SMILES COC(=O)C(C(F)(F)F)(Oc1ccc(cc1)F)NC(=O)Nc1sc2c(c1C(=O)N)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 C20H19F4N3O5S MW 489.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F4N3O5S/c1-31-17(29)19(20(22,23)24,32-11-8-6-10(21)7-9-11)27-18(30)26-16-14(15(25)28)12-4-2-3-5-13(12)33-16/h6-9H,2-5H2,1H3,(H2,25,28)(H2,26,27,30)InChIKey
JTHQQDKKNIPCTJ-UHFFFAOYSA-NSynonyms
COC(=O)C(C(F)(F)F)(NC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)OC3=CC=C(C=C3)F
InChI=1SC20H19F4N3O5Sc13117(29)19(20(2223)2432118610(21)7911)2718(30)261614(15(25)28)12423513(12)3316h69H25H21H3(H22528)(H2262730)
methyl2((3carbamoyl4567tetrahydro1benzothiophen2yl)carbamoylamino)333trifluoro2(4fluorophenoxy)propanoate
methylN((3carbamoyl4567tetrahydro1benzothiophen2yl)carbamoyl)333trifluoro2(4fluorophenoxy)alaninate
MFCD01655645
ZINC000004208975
ZINC000004208977
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