Vitas-M small molecule compound
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(pentanoylamino)alaninate
Catalog ID
STK764984
SMILES CCCCC(=O)NC(C(F)(F)F)(C(=O)OCC)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 C19H26F3N3O4S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26F3N3O4S/c1-3-5-10-13(26)24-18(19(20,21)22,17(28)29-4-2)25-16-14(15(23)27)11-8-6-7-9-12(11)30-16/h25H,3-10H2,1-2H3,(H2,23,27)(H,24,26)InChIKey
OQKARIMHVKBIOW-UHFFFAOYSA-NSynonyms
CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C2=C(S1)CCCC2)C(=O)N
ethyl2((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)333trifluoro2(pentanoylamino)propanoate
ethyl2((3carbamoyl4567tetrahydrobenzo(b)thiophen2yl)amino)333trifluoro2pentanamidopropanoate
ethylN(3carbamoyl4567tetrahydro1benzothiophen2yl)333trifluoro2(pentanoylamino)alaninate
InChI=1SC19H26F3N3O4Sc1351013(26)2418(19(2021)2217(28)2942)251614(15(23)27)11867912(11)3016h25H310H212H3(H22327)(H2426)
MFCD02933399
ZINC000002050542
ZINC000002050543
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