Vitas-M small molecule compound

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

Catalog ID
STK390603
SMILES COC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccccc1Br

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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 C15H11BrN2O3S MW 379.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11BrN2O3S/c1-8-10(7-17)14(22-12(8)15(20)21-2)18-13(19)9-5-3-4-6-11(9)16/h3-6H,1-2H3,(H,18,19)
InChIKey
UMEWZAYQWFIMOP-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2Br)C(=O)OC
InChI=1SC15H11BrN2O3Sc1810(717)14(2212(8)15(20)212)1813(19)9534611(9)16h36H12H3(H1819)
methyl5(((2bromophenyl)carbonyl)amino)4cyano3methylthiophene2carboxylate
METHYL5((2BROMOBENZOYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
METHYL5((2BROMOPHENYL)CARBONYLAMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
METHYL5(2BROMOBENZAMIDO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
MFCD01352789
ZINC000002740617
ZINC02740617
ZINC2740617

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Available files

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