Vitas-M small molecule compound

methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[(phenylacetyl)amino]alaninate

Catalog ID
STK772331
SMILES COC(=O)C(C(F)(F)F)(Nc1sc(c(c1C#N)CC)C)NC(=O)Cc1ccccc1

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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 C20H20F3N3O3S MW 439.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F3N3O3S/c1-4-14-12(2)30-17(15(14)11-24)26-19(18(28)29-3,20(21,22)23)25-16(27)10-13-8-6-5-7-9-13/h5-9,26H,4,10H2,1-3H3,(H,25,27)
InChIKey
AKWQNHIXMIENFW-UHFFFAOYSA-N
Synonyms
487033-27-2
(S)methyl2((3cyano4ethyl5methylthiophen2yl)amino)333trifluoro2(2phenylacetamido)propanoate
487033272
CCC1=C(SC(=C1C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)CC2=CC=CC=C2)C
InChI=1SC20H20F3N3O3Sc141412(2)3017(15(14)1124)2619(18(28)29320(2122)23)2516(27)10138657913h5926H410H213H3(H2527)
METHYL2((3CYANO4ETHYL5METHYLTHIOPHEN2YL)AMINO)333TRIFLUORO2((2PHENYLACETYL)AMINO)PROPANOATE
methylN(3cyano4ethyl5methylthiophen2yl)333trifluoro2((phenylacetyl)amino)alaninate
MFCD03287099
ZINC000002322207
ZINC000002322208

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Available files

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