Vitas-M small molecule compound

ethyl 4-cyano-5-{[(3,4-dichlorophenyl)carbonyl]amino}-3-methylthiophene-2-carboxylate

Catalog ID
STK412811
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(c(c1)Cl)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 C16H12Cl2N2O3S MW 383.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12Cl2N2O3S/c1-3-23-16(22)13-8(2)10(7-19)15(24-13)20-14(21)9-4-5-11(17)12(18)6-9/h4-6H,3H2,1-2H3,(H,20,21)
InChIKey
OQLKGMITJFKPIM-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C#N)C
ethyl4cyano5(((34dichlorophenyl)carbonyl)amino)3methylthiophene2carboxylate
ETHYL4CYANO5((34DICHLOROBENZOYL)AMINO)3METHYLTHIOPHENE2CARBOXYLATE
ETHYL5((34DICHLOROPHENYL)CARBONYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
InChI=1SC16H12Cl2N2O3Sc132316(22)138(2)10(719)15(2413)2014(21)94511(17)12(18)69h46H3H212H3(H2021)
MFCD01355690
ZINC000001965037
ZINC01965037
ZINC1965037

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Available files

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