Vitas-M small molecule compound

4-cyano-N,N,3-trimethyl-5-{[(2,4,6-trichlorophenoxy)acetyl]amino}thiophene-2-carboxamide

Catalog ID
STK960383
SMILES N#Cc1c(NC(=O)COc2c(Cl)cc(cc2Cl)Cl)sc(c1C)C(=O)N(C)C

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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 C17H14Cl3N3O3S MW 446.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14Cl3N3O3S/c1-8-10(6-21)16(27-15(8)17(25)23(2)3)22-13(24)7-26-14-11(19)4-9(18)5-12(14)20/h4-5H,7H2,1-3H3,(H,22,24)
InChIKey
RBFYDLFLKCKQCS-UHFFFAOYSA-N
Synonyms

4cyanoNN3trimethyl5(((246trichlorophenoxy)acetyl)amino)thiophene2carboxamide
4cyanoNN3trimethyl5((2(246trichlorophenoxy)acetyl)amino)thiophene2carboxamide
CC1=C(SC(=C1C#N)NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)N(C)C
InChI=1SC17H14Cl3N3O3Sc1810(621)16(2715(8)17(25)23(2)3)2213(24)7261411(19)49(18)512(14)20h45H7H213H3(H2224)
MFCD03072372
ZINC000002763951
ZINC02763951
ZINC2763951

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Available files

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