Vitas-M small molecule compound

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

Catalog ID
STK111618
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1CC(=O)N(/C(=N/c2ccc(cc2)C(=O)OCC)/S1)CCc1ccc(cc1)Cl

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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 C31H30ClN3O6S MW 608.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClN3O6S/c1-3-40-29(38)21-7-13-24(14-8-21)33-28(37)26-19-27(36)35(18-17-20-5-11-23(32)12-6-20)31(42-26)34-25-15-9-22(10-16-25)30(39)41-4-2/h5-16,26H,3-4,17-19H2,1-2H3,(H,33,37)/b34-31-
InChIKey
BKOUDUVIUCUAQQ-NMSHJFGGSA-N
Synonyms

CCOC(=O)c1ccc(cc1)NC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)C(=O)OCC)S1)CCc1ccc(cc1)Cl
ethyl4(((2Z)3(2(4chlorophenyl)ethyl)6((4(ethoxycarbonyl)phenyl)carbamoyl)4oxo13thiazinan2ylidene)amino)benzoate
MFCD02146139
ZINC000100144658
ZINC000100144662

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Available files

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