Vitas-M small molecule compound
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]alaninate
Catalog ID
STL327857
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCCC2)NC(=O)CC(C)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 C19H26F3N3O4S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26F3N3O4S/c1-4-29-17(28)18(19(20,21)22,24-13(26)9-10(2)3)25-16-14(15(23)27)11-7-5-6-8-12(11)30-16/h10,25H,4-9H2,1-3H3,(H2,23,27)(H,24,26)InChIKey
SIEZWZRRJTYUPF-UHFFFAOYSA-NSynonyms
352317-05-6352317056
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)CC(C)C
ethyl2((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)333trifluoro2(3methylbutanoylamino)propanoate
ethyl2((3carbamoyl4567tetrahydrobenzo(b)thiophen2yl)amino)333trifluoro2(3methylbutanamido)propanoate
ethylN(3carbamoyl4567tetrahydro1benzothiophen2yl)333trifluoro2((3methylbutanoyl)amino)alaninate
InChI=1SC19H26F3N3O4Sc142917(28)18(19(2021)222413(26)910(2)3)251614(15(23)27)11756812(11)3016h1025H49H213H3(H22327)(H2426)
MFCD01953988
ZINC000002286818
ZINC000002286819
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