Vitas-M small molecule compound

methyl 4-cyano-3-methyl-5-[(3-phenylpropanoyl)amino]thiophene-2-carboxylate

Catalog ID
STK428554
SMILES COC(=O)c1sc(c(c1C)C#N)NC(=O)CCc1ccccc1

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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 C17H16N2O3S MW 328.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O3S/c1-11-13(10-18)16(23-15(11)17(21)22-2)19-14(20)9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,19,20)
InChIKey
UYPQZURNFDMKTH-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C#N)NC(=O)CCC2=CC=CC=C2)C(=O)OC
InChI=1SC17H16N2O3Sc11113(1018)16(2315(11)17(21)222)1914(20)98126435712h37H89H212H3(H1920)
methyl4cyano3methyl5((3phenylpropanoyl)amino)thiophene2carboxylate
METHYL4CYANO3METHYL5(3PHENYLPROPANAMIDO)THIOPHENE2CARBOXYLATE
METHYL4CYANO3METHYL5(3PHENYLPROPANOYLAMINO)THIOPHENE2CARBOXYLATE
MFCD01357813
ZINC000002741658
ZINC02741658
ZINC2741658

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Available files

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