Vitas-M small molecule compound

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

Catalog ID
STK127535
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(o1)c1ccc(cc1)Br

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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 C20H15BrN2O4S MW 459.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O4S/c1-3-26-20(25)17-11(2)14(10-22)19(28-17)23-18(24)16-9-8-15(27-16)12-4-6-13(21)7-5-12/h4-9H,3H2,1-2H3,(H,23,24)
InChIKey
RLKLYFMIOQBJNJ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)C#N)C
ETHYL5(((5(4BROMOPHENYL)FURAN2YL)CARBONYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
ETHYL5((5(4BROMOPHENYL)FURAN2CARBONYL)AMINO)4CYANO3METHYLTHIOPHENE2CARBOXYLATE
InChI=1SC20H15BrN2O4Sc132620(25)1711(2)14(1022)19(2817)2318(24)169815(2716)124613(21)7512h49H3H212H3(H2324)
MFCD03242422
ZINC000001156403
ZINC01156403
ZINC1156403

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Available files

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