Vitas-M small molecule compound

propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl)amino]thiophene-3-carboxylate

Catalog ID
STL429802
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC(C)C)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC

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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 C21H21F13N2O4S MW 644.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F13N2O4S/c1-6-36(7-2)13(37)11-9(5)10(14(38)40-8(3)4)12(41-11)35-15(39)16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34/h8H,6-7H2,1-5H3,(H,35,39)
InChIKey
LNSHLIHMTZGRBS-UHFFFAOYSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)OC(C)C)C
InChI=1SC21H21F13N2O4Sc1636(72)13(37)119(5)10(14(38)408(3)4)12(4111)3515(39)16(2223)17(2425)18(2627)19(2829)20(3031)21(3233)34h8H67H215H3(H3539)
MFCD01340317
propan2yl5(diethylcarbamoyl)4methyl2((2233445566777tridecafluoroheptanoyl)amino)thiophene3carboxylate
propan2yl5(diethylcarbamoyl)4methyl2(2233445566777tridecafluoroheptanoylamino)thiophene3carboxylate
ZINC000150421756

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Available files

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