Vitas-M small molecule compound
ethyl N-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)alaninate
Catalog ID
STK537337
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1sc2c(c1C(=O)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 C17H19F6N3O5S MW 491.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19F6N3O5S/c1-2-30-13(28)16(17(21,22)23,31-7-15(18,19)20)26-14(29)25-12-10(11(24)27)8-5-3-4-6-9(8)32-12/h2-7H2,1H3,(H2,24,27)(H2,25,26,29)InChIKey
FDQWSLPMRWKXAL-UHFFFAOYSA-NSynonyms
374086-39-2374086392
CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)OCC(F)(F)F
ethyl2((3carbamoyl4567tetrahydro1benzothiophen2yl)carbamoylamino)333trifluoro2(222trifluoroethoxy)propanoate
ethyl2(3(3carbamoyl4567tetrahydrobenzo(b)thiophen2yl)ureido)333trifluoro2(222trifluoroethoxy)propanoate
ethylN((3carbamoyl4567tetrahydro1benzothiophen2yl)carbamoyl)333trifluoro2(222trifluoroethoxy)alaninate
InChI=1SC17H19F6N3O5Sc123013(28)16(17(2122)2331715(1819)20)2614(29)251210(11(24)27)853469(8)3212h27H21H3(H22427)(H2252629)
MFCD01950326
ZINC000002282686
ZINC000002282687
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