Vitas-M small molecule compound

ethyl 2-{[(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL019122
SMILES CCOC(=O)c1c(NC(=O)CC2Nc3cccc4c3c(NC2=O)ccc4)sc2c1CCCC2

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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 C25H25N3O4S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S/c1-2-32-25(31)22-15-9-3-4-12-19(15)33-24(22)28-20(29)13-18-23(30)27-17-11-6-8-14-7-5-10-16(26-18)21(14)17/h5-8,10-11,18,26H,2-4,9,12-13H2,1H3,(H,27,30)(H,28,29)
InChIKey
FWGGOXKKEBOUFG-UHFFFAOYSA-N
Synonyms
1008000-00-7
1008000007
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NC4=CC=CC5=C4C(=CC=C5)N3
ethyl2(((3oxo1234tetrahydronaphtho(18ef)(14)diazepin2yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H25N3O4Sc123225(31)22159341219(15)3324(22)2820(29)131823(30)2717116814751016(2618)21(14)17h5810111826H2491213H21H3(H2730)(H2829)
MFCD05718973
ZINC000002889874
ZINC000002889875

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Available files

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