Vitas-M small molecule compound

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

Catalog ID
STK075699
SMILES CCOc1cccc(c1)NC(=O)C1CC(=O)N(/C(=N/c2ccc(cc2)C(=O)OCC)/S1)Cc1ccc(cc1)OC

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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 C30H31N3O6S MW 561.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O6S/c1-4-38-25-8-6-7-23(17-25)31-28(35)26-18-27(34)33(19-20-9-15-24(37-3)16-10-20)30(40-26)32-22-13-11-21(12-14-22)29(36)39-5-2/h6-17,26H,4-5,18-19H2,1-3H3,(H,31,35)/b32-30-
InChIKey
VGMABKNPIGBMIO-GCUVURNUSA-N
Synonyms

(Z)ethyl4((6((3ethoxyphenyl)carbamoyl)3(4methoxybenzyl)4oxo13thiazinan2ylidene)amino)benzoate
CCOc1cccc(c1)NC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)C(=O)OCC)S1)Cc1ccc(cc1)OC
ethyl4(((2Z)6((3ethoxyphenyl)carbamoyl)3(4methoxybenzyl)4oxo13thiazinan2ylidene)amino)benzoate
MFCD02145412
STK075699
ZINC000097959004
ZINC000097959005

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Available files

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