Vitas-M small molecule compound

ethyl 6-tert-butyl-2-{[(2,5-dichlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK317597
SMILES CCOC(=O)c1c(NC(=O)COc2cc(Cl)ccc2Cl)sc2c1CCC(C2)C(C)(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 C23H27Cl2NO4S MW 484.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27Cl2NO4S/c1-5-29-22(28)20-15-8-6-13(23(2,3)4)10-18(15)31-21(20)26-19(27)12-30-17-11-14(24)7-9-16(17)25/h7,9,11,13H,5-6,8,10,12H2,1-4H3,(H,26,27)
InChIKey
GUPDMIZWVVGZBK-UHFFFAOYSA-N
Synonyms
515872-56-7
515872567
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)COC3=C(C=CC(=C3)Cl)Cl
ethyl6tertbutyl2(((25dichlorophenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((2(25dichlorophenoxy)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H27Cl2NO4Sc152922(28)20158613(23(23)4)1018(15)3121(20)2619(27)1230171114(24)7916(17)25h791113H5681012H214H3(H2627)
MFCD03759422
ZINC000001944479
ZINC000001944480

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Available files

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