Vitas-M small molecule compound

ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]thiophene-3-carboxylate

Catalog ID
STK766122
SMILES CCOC(=O)c1c(NC(=O)C(C(F)(F)F)(OC)F)sc(c1C)C(=O)Nc1cccc(c1)Cl

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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 C19H17ClF4N2O5S MW 496.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClF4N2O5S/c1-4-31-16(28)12-9(2)13(14(27)25-11-7-5-6-10(20)8-11)32-15(12)26-17(29)18(21,30-3)19(22,23)24/h5-8H,4H2,1-3H3,(H,25,27)(H,26,29)
InChIKey
JKAUUPNCOMICPC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)Cl)NC(=O)C(C(F)(F)F)(OC)F
ethyl5((3chlorophenyl)carbamoyl)4methyl2((2333tetrafluoro2methoxypropanoyl)amino)thiophene3carboxylate
InChI=1SC19H17ClF4N2O5Sc143116(28)129(2)13(14(27)251175610(20)811)3215(12)2617(29)18(21303)19(2223)24h58H4H213H3(H2527)(H2629)
MFCD03035917
ZINC000002191899
ZINC000002191900

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Available files

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