Vitas-M small molecule compound
methyl 2-(acetylamino)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Catalog ID
STK764934
SMILES COC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCC(C2)C)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 C16H18F3N3O3S MW 389.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18F3N3O3S/c1-8-4-5-10-11(7-20)13(26-12(10)6-8)22-15(14(24)25-3,16(17,18)19)21-9(2)23/h8,22H,4-6H2,1-3H3,(H,21,23)InChIKey
IDFDZVLEBLBRIA-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C
InChI=1SC16H18F3N3O3Sc18451011(720)13(2612(10)68)2215(14(24)25316(1718)19)219(2)23h822H46H213H3(H2123)
methyl2(acetylamino)N(3cyano6methyl4567tetrahydro1benzothiophen2yl)333trifluoroalaninate
methyl2acetamido2((3cyano6methyl4567tetrahydro1benzothiophen2yl)amino)333trifluoropropanoate
MFCD02933368
ZINC000002190851
ZINC000002190854
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