Vitas-M small molecule compound
methyl 2-{[1,1,1,3,3,3-hexafluoro-2-(pentanoylamino)propan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK762656
SMILES CCCCC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C18H22F6N2O3S MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22F6N2O3S/c1-3-4-9-12(27)25-16(17(19,20)21,18(22,23)24)26-14-13(15(28)29-2)10-7-5-6-8-11(10)30-14/h26H,3-9H2,1-2H3,(H,25,27)InChIKey
HKZNQXQSZHOPIJ-UHFFFAOYSA-NSynonyms
309731-51-9309731519
CCCCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C2=C(S1)CCCC2)C(=O)OC
InChI=1SC18H22F6N2O3Sc134912(27)2516(17(1920)2118(2223)24)261413(15(28)292)10756811(10)3014h26H39H212H3(H2527)
methyl2((111333hexafluoro2(pentanoylamino)propan2yl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((111333hexafluoro2pentanamidopropan2yl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01872452
ZINC000002050115
ZINC02050115
ZINC2050115
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