Vitas-M small molecule compound
ethyl 4-({(2Z)-3-(3,4-dimethoxybenzyl)-6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
Catalog ID
STK114291
SMILES CCOc1ccc(cc1)NC(=O)C1CC(=O)N(/C(=N/c2ccc(cc2)C(=O)OCC)/S1)Cc1ccc(c(c1)OC)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 C31H33N3O7S MW 591.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O7S/c1-5-40-24-14-12-22(13-15-24)32-29(36)27-18-28(35)34(19-20-7-16-25(38-3)26(17-20)39-4)31(42-27)33-23-10-8-21(9-11-23)30(37)41-6-2/h7-17,27H,5-6,18-19H2,1-4H3,(H,32,36)/b33-31-InChIKey
COQMSMNEFKXEOR-FPODKLOTSA-NSynonyms
CCOc1ccc(cc1)NC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)C(=O)OCC)S1)Cc1ccc(c(c1)OC)OC
ethyl4(((2Z)3(34dimethoxybenzyl)6((4ethoxyphenyl)carbamoyl)4oxo13thiazinan2ylidene)amino)benzoate
MFCD03820433
ZINC000100144671
ZINC000100144674
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