Vitas-M small molecule compound

methyl 2-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK418373
SMILES COC(=O)c1c(NC(=O)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)sc2c1CCC(C2)C(CC)(C)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 C24H23F16NO3S MW 709.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23F16NO3S/c1-5-17(2,3)9-6-7-10-11(8-9)45-13(12(10)14(42)44-4)41-16(43)19(29,30)21(33,34)23(37,38)24(39,40)22(35,36)20(31,32)18(27,28)15(25)26/h9,15H,5-8H2,1-4H3,(H,41,43)
InChIKey
IWQMIXJRUSSOHP-UHFFFAOYSA-N
Synonyms
438453-84-0
438453840
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI=1SC24H23F16NO3Sc1517(23)9671011(89)4513(12(10)14(42)444)4116(43)19(2930)21(3334)23(3738)24(3940)22(3536)20(3132)18(2728)15(25)26h915H58H214H3(H4143)
methyl2((2233445566778899hexadecafluorononanoyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(2233445566778899hexadecafluorononanoylamino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
MFCD01920995
ZINC000008397938
ZINC000008397946

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Available files

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