Vitas-M small molecule compound

methyl 4-(4-ethylphenyl)-2-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)amino]-5-methylthiophene-3-carboxylate

Catalog ID
STK423397
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)sc(c1c1ccc(cc1)CC)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 C24H17F16NO3S MW 703.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17F16NO3S/c1-4-10-5-7-11(8-6-10)12-9(2)45-14(13(12)15(42)44-3)41-17(43)19(29,30)21(33,34)23(37,38)24(39,40)22(35,36)20(31,32)18(27,28)16(25)26/h5-8,16H,4H2,1-3H3,(H,41,43)
InChIKey
RSOLCIVFGKIMHJ-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)C2=C(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)C
InChI=1SC24H17F16NO3Sc14105711(8610)129(2)4514(13(12)15(42)443)4117(43)19(2930)21(3334)23(3738)24(3940)22(3536)20(3132)18(2728)16(25)26h5816H4H213H3(H4143)
methyl4(4ethylphenyl)2((2233445566778899hexadecafluorononanoyl)amino)5methylthiophene3carboxylate
methyl4(4ethylphenyl)2(2233445566778899hexadecafluorononanoylamino)5methylthiophene3carboxylate
MFCD02244176
ZINC000008454795
ZINC08454795
ZINC8454795

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.