Vitas-M small molecule compound

methyl 4-[1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoate

Catalog ID
STK693758
SMILES COc1ccc2c(c1)sc(n2)n1nc(c2c1NC(=O)CSC2c1ccc(cc1)C(=O)OC)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 C23H20N4O4S2 MW 480.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4S2/c1-12-19-20(13-4-6-14(7-5-13)22(29)31-3)32-11-18(28)25-21(19)27(26-12)23-24-16-9-8-15(30-2)10-17(16)33-23/h4-10,20H,11H2,1-3H3,(H,25,28)
InChIKey
IBAHTIXBQFAHCY-UHFFFAOYSA-N
Synonyms

methyl4(1(6methoxy13benzothiazol2yl)3methyl7oxo4678tetrahydro1Hpyrazolo(34e)(14)thiazepin4yl)benzoate
MFCD12033839
ZINC000015108144
ZINC000015108147

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Available files

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