Vitas-M small molecule compound
methyl 2-(acetylamino)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Catalog ID
STK763263
SMILES COC(=O)C(C(F)(F)F)(Nc1sc2c(c1C(=O)N)CCCC2)NC(=O)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 C15H18F3N3O4S MW 393.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18F3N3O4S/c1-7(22)20-14(13(24)25-2,15(16,17)18)21-12-10(11(19)23)8-5-3-4-6-9(8)26-12/h21H,3-6H2,1-2H3,(H2,19,23)(H,20,22)InChIKey
IXYQEUBKTJRCKI-UHFFFAOYSA-NSynonyms
CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=C(C2=C(S1)CCCC2)C(=O)N
InChI=1SC15H18F3N3O4Sc17(22)2014(13(24)25215(1617)18)211210(11(19)23)853469(8)2612h21H36H212H3(H21923)(H2022)
methyl2(acetylamino)N(3carbamoyl4567tetrahydro1benzothiophen2yl)333trifluoroalaninate
methyl2acetamido2((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)333trifluoropropanoate
MFCD02642867
ZINC000004177283
ZINC000004177284
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