Vitas-M small molecule compound

ethyl 6-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK317462
SMILES CCOC(=O)c1c(NC(=O)CC23CC4CC(C3)CC(C2)C4)sc2c1CCC(C2)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 C24H33NO3S MW 415.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33NO3S/c1-3-28-23(27)21-18-5-4-14(2)6-19(18)29-22(21)25-20(26)13-24-10-15-7-16(11-24)9-17(8-15)12-24/h14-17H,3-13H2,1-2H3,(H,25,26)
InChIKey
DWXGVDQDTTVSLA-UHFFFAOYSA-N
Synonyms
445036-10-2
445036102
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CC34CC5CC(C3)CC(C5)C4
ethyl2((2(1adamantyl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2((tricyclo(3311~37~)dec1ylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H33NO3Sc132823(27)21185414(2)619(18)2922(21)2520(26)13241015716(1124)917(815)1224h1417H313H212H3(H2526)
MFCD02243275
ZINC000004651316
ZINC000004651318

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Available files

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