Vitas-M small molecule compound

ethyl 2-(acetylamino)-6-[(E)-{[3-(diethylamino)propyl]imino}methyl]-7-(phenylsulfanyl)-4,5-dihydro-1-benzothiophene-3-carboxylate

Catalog ID
STK280226
SMILES CCOC(=O)c1c(NC(=O)C)sc2c1CCC(=C2Sc1ccccc1)/C=N/CCCN(CC)CC

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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 C27H35N3O3S2 MW 513.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O3S2/c1-5-30(6-2)17-11-16-28-18-20-14-15-22-23(27(32)33-7-3)26(29-19(4)31)35-25(22)24(20)34-21-12-9-8-10-13-21/h8-10,12-13,18H,5-7,11,14-17H2,1-4H3,(H,29,31)/b28-18+
InChIKey
BQMGPIIJXGVJCJ-MTDXEUNCSA-N
Synonyms
296266-64-3
296266643
CCOC(=O)c1c(NC(=O)C)sc2c1CCC(=C2Sc1ccccc1)C=NCCCN(CC)CC
ethyl2(acetylamino)6((E)((3(diethylamino)propyl)imino)methyl)7(phenylsulfanyl)45dihydro1benzothiophene3carboxylate
MFCD00316146
ZINC000100209040

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Available files

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