Vitas-M small molecule compound

methyl 5-{[(4-chlorophenoxy)acetyl]amino}-4-cyano-3-methylthiophene-2-carboxylate

Catalog ID
STK346294
SMILES COC(=O)c1sc(c(c1C)C#N)NC(=O)COc1ccc(cc1)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 C16H13ClN2O4S MW 364.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2O4S/c1-9-12(7-18)15(24-14(9)16(21)22-2)19-13(20)8-23-11-5-3-10(17)4-6-11/h3-6H,8H2,1-2H3,(H,19,20)
InChIKey
NPOSJDRAHPIYIJ-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C#N)NC(=O)COC2=CC=C(C=C2)Cl)C(=O)OC
InChI=1SC16H13ClN2O4Sc1912(718)15(2414(9)16(21)222)1913(20)823115310(17)4611h36H8H212H3(H1920)
methyl5(((4chlorophenoxy)acetyl)amino)4cyano3methylthiophene2carboxylate
METHYL5((2(4CHLOROPHENOXY)ACETYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
METHYL5(2(4CHLOROPHENOXY)ACETYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
MFCD02086238
ZINC000000782891
ZINC00782891
ZINC782891

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Available files

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