Vitas-M small molecule compound

methyl 5-{[(5-chloro-2-methoxyphenyl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate

Catalog ID
STK412828
SMILES COC(=O)c1sc(c(c1C)C#N)NC(=O)c1cc(Cl)ccc1OC

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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/c1-8-11(7-18)15(24-13(8)16(21)23-3)19-14(20)10-6-9(17)4-5-12(10)22-2/h4-6H,1-3H3,(H,19,20)
InChIKey
UVRHOZAQXBNVKU-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC(=C2)Cl)OC)C(=O)OC
InChI=1SC16H13ClN2O4Sc1811(718)15(2413(8)16(21)233)1914(20)1069(17)4512(10)222h46H13H3(H1920)
methyl5(((5chloro2methoxyphenyl)carbonyl)amino)4cyano3methylthiophene2carboxylate
METHYL5((5CHLORO2METHOXYBENZOYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
METHYL5((5CHLORO2METHOXYPHENYL)CARBONYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
MFCD01350369
ZINC000005531603
ZINC05531603
ZINC5531603

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Available files

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