Vitas-M small molecule compound

(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1,3-thiazinane-6-carboxylic acid

Catalog ID
STK120982
SMILES CCOC(=O)c1ccc(cc1)/N=C/1\SC(CC(=O)N1CCC12CC3CC(C2)CC(C1)C3)C(=O)O

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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 C26H32N2O5S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O5S/c1-2-33-24(32)19-3-5-20(6-4-19)27-25-28(22(29)12-21(34-25)23(30)31)8-7-26-13-16-9-17(14-26)11-18(10-16)15-26/h3-6,16-18,21H,2,7-15H2,1H3,(H,30,31)/b27-25-
InChIKey
QDPUNZYSGKEVRM-RFBIWTDZSA-N
Synonyms

(2Z)2((4(ethoxycarbonyl)phenyl)imino)4oxo3(2(tricyclo(3311~37~)dec1yl)ethyl)13thiazinane6carboxylicacid
CCOC(=O)c1ccc(cc1)N=C1SC(CC(=O)N1CCC12CC3CC(C2)CC(C1)C3)C(=O)O
MFCD04082925
ZINC000009805688
ZINC000009805689

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Available files

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