Vitas-M small molecule compound

N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanamide

Catalog ID
STL036792
SMILES CSCCC(N1C(=O)c2c(C1=O)cccc2)C(=O)/N=c\1/sc2c([nH]1)cccc2

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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 C20H17N3O3S2 MW 411.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O3S2/c1-27-11-10-15(23-18(25)12-6-2-3-7-13(12)19(23)26)17(24)22-20-21-14-8-4-5-9-16(14)28-20/h2-9,15H,10-11H2,1H3,(H,21,22,24)
InChIKey
GJQHFODENASHAQ-UHFFFAOYSA-N
Synonyms
565219-86-5
565219865
CSCCC(N1C(=O)c2c(C1=O)cccc2)C(=O)N=c1sc2c((nH)1)cccc2
MFCD04077819
ZINC000002447874
ZINC000002447875

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Available files

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