Vitas-M small molecule compound

2-hydroxy-3-[2-(3-iodophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-4H-pyran-4-one

Catalog ID
STL559239
SMILES Ic1cccc(c1)C1Sc2ccccc2N=C(C1)c1c(=O)cc(oc1O)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 C21H16INO3S MW 489.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16INO3S/c1-12-9-17(24)20(21(25)26-12)16-11-19(13-5-4-6-14(22)10-13)27-18-8-3-2-7-15(18)23-16/h2-10,19,25H,11H2,1H3
InChIKey
DPQZIBVFSCXRHO-UHFFFAOYSA-N
Synonyms

2hydroxy3(2(3iodophenyl)23dihydro15benzothiazepin4yl)6methyl4Hpyran4one
MFCD32221100
ZINC000199639544
ZINC000199639570

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Available files

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