Vitas-M small molecule compound

ethyl 4-{[(2E)-3-benzyl-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino}benzoate

Catalog ID
STK772548
SMILES CCOC(=O)c1ccc(cc1)/N=C\1/SC(CC(=O)N1Cc1ccccc1)C(=O)Nc1ccccc1

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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 C27H25N3O4S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S/c1-2-34-26(33)20-13-15-22(16-14-20)29-27-30(18-19-9-5-3-6-10-19)24(31)17-23(35-27)25(32)28-21-11-7-4-8-12-21/h3-16,23H,2,17-18H2,1H3,(H,28,32)/b29-27+
InChIKey
HYQWWOMSZWRSOF-ORIPQNMZSA-N
Synonyms

(Z)ethyl4((3benzyl4oxo6(phenylcarbamoyl)13thiazinan2ylidene)amino)benzoate
CCOC(=O)c1ccc(cc1)N=C1SC(CC(=O)N1Cc1ccccc1)C(=O)Nc1ccccc1
ethyl4(((2E)3benzyl4oxo6(phenylcarbamoyl)13thiazinan2ylidene)amino)benzoate
MFCD03819822
ZINC000013662089
ZINC000100143514

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Available files

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