Vitas-M small molecule compound

ethyl 2-{[(3,4-dichloro-1-benzothiophen-2-yl)carbonyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

Catalog ID
STK423153
SMILES CCOC(=O)c1c(NC(=O)c2sc3c(c2Cl)c(Cl)ccc3)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 C20H18Cl2N2O4S2 MW 485.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2N2O4S2/c1-5-28-20(27)12-9(2)15(19(26)24(3)4)30-18(12)23-17(25)16-14(22)13-10(21)7-6-8-11(13)29-16/h6-8H,5H2,1-4H3,(H,23,25)
InChIKey
FTUDBLNWCKTNLO-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C2=C(C3=C(S2)C=CC=C3Cl)Cl
ethyl2(((34dichloro1benzothiophen2yl)carbonyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
ETHYL2((34DICHLORO1BENZOTHIOPHENE2CARBONYL)AMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((34DICHLOROBENZO(B)THIOPHEN2YL)CARBONYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC20H18Cl2N2O4S2c152820(27)129(2)15(19(26)24(3)4)3018(12)2317(25)1614(22)1310(21)76811(13)2916h68H5H214H3(H2325)
MFCD02244362
ZINC000002768987
ZINC02768987
ZINC2768987

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Available files

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