Vitas-M small molecule compound

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

Catalog ID
STK112781
SMILES CCCCCCCN1C(=O)CC(S/C/1=N\c1ccc(cc1)C(=O)OCC)C(=O)N

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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 C21H29N3O4S MW 419.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O4S/c1-3-5-6-7-8-13-24-18(25)14-17(19(22)26)29-21(24)23-16-11-9-15(10-12-16)20(27)28-4-2/h9-12,17H,3-8,13-14H2,1-2H3,(H2,22,26)/b23-21-
InChIKey
ANXILHFLJHJWEA-LNVKXUELSA-N
Synonyms

CCCCCCCN1C(=O)CC(SC1=Nc1ccc(cc1)C(=O)OCC)C(=O)N
ethyl4(((2Z)6carbamoyl3heptyl4oxo13thiazinan2ylidene)amino)benzoate
MFCD02146170
ZINC000097959679
ZINC000097959680

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Available files

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