Vitas-M small molecule compound
methyl 2-(acetylamino)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Catalog ID
STK764907
SMILES COC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCC(C2)C(C)(C)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 C19H24F3N3O3S MW 431.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24F3N3O3S/c1-10(26)24-18(16(27)28-5,19(20,21)22)25-15-13(9-23)12-7-6-11(17(2,3)4)8-14(12)29-15/h11,25H,6-8H2,1-5H3,(H,24,26)InChIKey
GDXFIXJLQIASOB-UHFFFAOYSA-NSynonyms
CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N
InChI=1SC19H24F3N3O3Sc110(26)2418(16(27)28519(2021)22)251513(923)127611(17(23)4)814(12)2915h1125H68H215H3(H2426)
methyl2(acetylamino)N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)333trifluoroalaninate
methyl2acetamido2((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoropropanoate
MFCD02933341
ZINC000002191720
ZINC000002191723
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