Vitas-M small molecule compound

methyl 4-({(2Z)-6-[(2-methoxyphenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate

Catalog ID
STK130606
SMILES COC(=O)c1ccc(cc1)/N=C/1\SC(CC(=O)N1C)C(=O)Nc1ccccc1OC

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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 C21H21N3O5S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S/c1-24-18(25)12-17(19(26)23-15-6-4-5-7-16(15)28-2)30-21(24)22-14-10-8-13(9-11-14)20(27)29-3/h4-11,17H,12H2,1-3H3,(H,23,26)/b22-21-
InChIKey
PTPPIKDNDLICAT-DQRAZIAOSA-N
Synonyms

COC(=O)c1ccc(cc1)N=C1SC(CC(=O)N1C)C(=O)Nc1ccccc1OC
methyl4(((2Z)6((2methoxyphenyl)carbamoyl)3methyl4oxo13thiazinan2ylidene)amino)benzoate
MFCD02146493
ZINC000008397066
ZINC000012631379

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Available files

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