Vitas-M small molecule compound
ethyl N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)alaninate
Catalog ID
STL327827
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1sc2c(c1C#N)CCCC2)OCC(F)(F)F
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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 C17H17F6N3O4S MW 473.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F6N3O4S/c1-2-29-13(27)16(17(21,22)23,30-8-15(18,19)20)26-14(28)25-12-10(7-24)9-5-3-4-6-11(9)31-12/h2-6,8H2,1H3,(H2,25,26,28)InChIKey
MZBDUXJCDVYFEU-UHFFFAOYSA-NSynonyms
374103-41-0374103410
CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=C(C2=C(S1)CCCC2)C#N)OCC(F)(F)F
ethyl2((3cyano4567tetrahydro1benzothiophen2yl)carbamoylamino)333trifluoro2(222trifluoroethoxy)propanoate
ethyl2(3(3cyano4567tetrahydrobenzo(b)thiophen2yl)ureido)333trifluoro2(222trifluoroethoxy)propanoate
ethylN((3cyano4567tetrahydro1benzothiophen2yl)carbamoyl)333trifluoro2(222trifluoroethoxy)alaninate
InChI=1SC17H17F6N3O4Sc122913(27)16(17(2122)2330815(1819)20)2614(28)251210(724)9534611(9)3112h268H21H3(H2252628)
MFCD01953261
ZINC000002286359
ZINC000002286360
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